[1] K. Kasai, S. Omiya, S. Tambata, T. Mori, ICT teaching materials on molecular structures using crystal structure databases and their practical research, Jpn. Soc. Sci. Educ. Res. Rep. 2021, 35, 5. [In Japanese]
[2] T. Ito, K. Obara, K. Kamata, K. Kasai, Development of ICT teaching materials for molecular and crystal struc-tures using crystal structure databases, Bull. Inst. Inf. Lit. Competency Devel. Miyagi Univ. Educ. 2021, 1, 29. [In Japanese]
[3] K. Kasai, Y. Toda, T. Goto, M. Takahashi, M. Kamata, Construction of porous complexes for teaching material of molecular structure of alcohol by X-ray crystallog-raphy, Bull. Miyagi Univ. Educ. 2020, 54, 177. [In Japa-nese]
[4] K. Kasai, I. Hashimoto, M. Kamata, Y. Fujiwara, A. Midorikawa, D. Takasaki, Development of ICT teaching materials of molecular structure by X-ray crystallog-raphy, Jpn. Soc. Sci. Educ. Res. Rep. 2019, 34, 51. [In Japanese]
[5] K. Kasai, I. Hashimoto, N. Obara, S. Watanabe, Devel-opment of teaching material of crystal substances ex-tracted from commodities (II) ―Focusing on organic compounds in foods―, Bull. Miyagi Univ. Educ. 2019, 53, 159. [In Japanese]
[6] K. Kasai, S. Watanabe, Development of teaching mate-rial of crystal substances extracted from commodities (I) ―Focusing on urea―, Bull. Miyagi Univ. Educ. 2018, 52, 113. [In Japanese]
[7] K. Kasai, H. Yamada, S. Nara, Development of web-based teaching materials on molecular structures by X-ray crystallography, COMMUE 2017, 24, 15. [In Japa-nese]
[8] D. Noguchi, Bibliographic survey on crystal structures of sodium phenoxides to develop ICT teaching materials of molecular structures, Jpn. Soc. Sci. Educ. Res. Rep. 2020, 34, 23. [In Japanese]
[9] D. Noguchi, A possibility as ICT learning material of the crystal structure of sodium ethoxides, Proc. Kanto Reg. Conf. Soc. Jpn. Sci. Teach. 2020, 59, 69. [In Japanese]
[10] G. M. Battle, G. M. Ferrence, F. H. Allen, Applications of the Cambridge structural database in chemical educa-tion, J. Appl. Cryst. 2010, 43, 1208.
[11] G. M. Battle, F. H. Allen, G. M. Ferrence, Teaching 3D structural chemistry using crystal structure databases: 1. An interactive web-accessible teaching subset of the Cambridge structural database, J. Chem. Educ. 2010, 87, 809.
[12] G. M. Battle, F. H. Allen, G. M. Ferrence, Teaching 3D structural chemistry using crystal structure databases: 2. Example teaching units that utilise an interactive web-accessible subset of the Cambridge structural database, J. Chem. Educ. 2010, 87, 813.
[13] G. M. Battle, F. H. Allen, G. M. Ferrence, Teaching 3D structural chemistry using crystal structure databases: 3. The Cambridge structural database system - database content and access software in educational applications, J. Chem. Educ. 2011, 88, 886.
[14] G. M. Battle, F. H. Allen, G. M. Ferrence, Teaching 3D structural chemistry using crystal structure databases: 4. Advanced examples of discovery-based learning, J. Chem. Educ. 2011, 88, 891.
[15] X. Cao, Y. Huang, X. Jiang, Y. Su, J. Zhao, Phase dia-gram of water–methane by first-principles thermody-namics: Discovery of MH-IV and MH-V hydrates, Phys. Chem. Chem. Phys. 2017, 19, 15996.
[16] S. Bloodworth, G. Sitinova, S. Alom, S. Vidal, G. R. Bacanu, S. J. Elliott, M. E. Light, J. M. Herniman, G. J. Langley, M. H. Levitt, R. J. Whitby, First synthesis and characterization of CH₄@C₆₀, Angew. Chem. Int. Ed. 2019, 58, 5038.
[17] G. J. H. van Nes, A. Vos, Single-crystal structures and electron density distributions of ethane, ethylene and acetylene. I. Single-crystal X-ray structure determina-tions of two modifications of ethane, Acta Cryst. 1978, B34, 1947.
[18] R. Boese, H.-C. Weiss, D. Bläser, The melting point alternation in the short-chain n-alkanes: Single-crystal X-ray analyses of propane at 30 K and of n-butane to n-nonane at 90 K, Angew. Chem. Int. Ed. 1999, 38, 988.
[19] R. D. Burbank, The crystal structure of methyl chloride at -125°, J. Am. Chem. Soc. 1953, 75, 1211.
[20] T. Kawaguchi, K. Tanaka, T. Takeuchi, T. Watanabé, The crystal structure of methylene bichloride, CH₂Cl₂, Bull. Chem. Soc. Jpn. 1973, 46, 62.
[21] D. S. Yufit, J. A. K. Howarda, Low-melting molecular complexes of chloroform, CrystEngComm 2010, 12, 737.
[22] G. J. Piermarini, A. B. Braun, Crystal and molecular structure of CCl₄ III: A high pressure polymorph at 10 kbar, J. Chem. Phys. 1973, 58, 1974.
[23] F. Bertolotti, G. Gervasio, Crystal structure of iodoform at 106 K and of the adduct CHI₃⋅3(C₉H₇N). Iodoform as a building block of co-crystals, J. Mol. Struct. 2013, 1036, 305.
[24] D. J. Wolstenholme, K. N. Robertson, E. M. Gonzalez, T. S. Cameron, A topological investigation of the non-linear optical compound: Iodoform octasulfur, J. Phys. Chem. A 2006, 110, 12636.
[25] R. Bhola, P. Payamyar, D. J. Murray, B. Kumar, A. J. Teator, M. U. Schmidt, S. M. Hammer, A. Saha, J. Sa-kamoto, A. D. Schlüter, B. T. King, A two-dimensional polymer from the anthracene dimer and triptycene mo-tifs, J. Am. Chem. Soc. 2013, 135, 14134.
[26] A. Stein, C. W. Lehmann, P. Luger, Crystal structure of cyclobutane at 117 K, J. Am. Chem. Soc. 1992, 114, 7684.
[27] A. Torrisi, C. K. Leech, K. Shankland, W. I. F. David, R. M. Ibberson, J. Benet-Buchholz, R. Boese, M. Leslie, C. R. A. Catlow, S. L. Price, Solid phases of cyclopen-tane: Combined experimental and simulation study, J. Phys. Chem. B 2008, 112, 3746.
[28] R. Kahn, R. Fourme, D. André, M. Renaud, Crystal structure of cyclohexane I and II, Acta Cryst. 1973, B29, 131.
[29] G. Smith, C. H. L. Kennard, A. H. White, Insecticides. Part V. Crystal structures of β-(eeeeee)-1,2,3,4,5,6-hexachlorocyclohexane and γ-(aaaeee)-1,2,3,4,5,6-hexachlorocyclohexane (lindane) (redeterminations), J. Chem. Soc. Perkin Trans. 2 1976, 5, 614.
[30] G. J. H. van Nes, V. A. Vos, Single-crystal structures and electron density distributions of ethane, ethylene and acetylene. III. Single-crystal X-ray structure deter-mination of ethylene at 85 K, Acta Cryst. 1979, B35, 2593.
[31] E. D. Bloch, W. L. Queen, R. Krishna, J. M. Zadrozny, C. M. Brown, J. R. Long, Hydrocarbon separations in a metal-organic framework with open Iron(II) coordina-tion sites, Science 2012, 335, 1606.
[32] B. R. Barnett, S. T. Parker, M. V. Paley, M. I. Gonzalez, N. Biggins, J. Oktawiec, J. R. Long, Thermodynamic separation of 1-butene from 2-butene in metal–organic frameworks with open metal sites, J. Am. Chem. Soc. 2019, 141, 18325.
[33] R. M. Ibberson, M. T. F. Telling, S. Parsons, Crystal structures and glassy phase transition behavior of cyclo-hexene, Cryst. Growth Des. 2008, 8, 512.
[34] T. Sugawara, E. Kanda, The crystal structure of acety-lene. I, Sci. Rep. Res. Inst., Tohoku Univ. Ser. A, Phys., Chem. Metall. 1952, 4, 607.
[35] G.-X. Jin, T. Wang, T.-X. Yue, X.-K. Wang, F. Dai, X.-W. Wu, Q.-K. Liu, J.-P. Ma, Cd-MOF: Specific adsorp-tion selectivity for linear alkyne (propyne, 2-butyne and phenylacetylene) molecules, Chem. Comm. 2021, 57, 13325.
[36] D. Mootz, A. Deeg, 2-Butyne and hydrogen chloride cocrystallized: Solid-state geometry of Cl–H···π hydro-gen bonding to the carbon–carbon triple bond, J. Am. Chem. Soc. 1992, 114, 5887.
[37] M. T. Kirchner, D. Das, R. Boese, Cocrystallization with acetylene: Molecular complex with methanol, Cryst. Growth Des. 2008, 8, 763.
[38] D. S. Yufit, J. A. K. Howarda, Low-melting molecular complexes of chloroform, CrystEngComm 2010, 12, 737.
[39] R. K. McMullan, Å. Kvick, P. Popelier, Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction, Acta Cryst. 1992, B48, 726.
[40] M. Beske, S. Cronje, M. U. Schmidt, L. Tapmeyer, Dis-ordered sodium alkoxides from powder data: Crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates, Acta Cryst. 2021, B77, 68.
[41] M. Bolte, CCDC 234763: Experimental crystal structure determination, CSD Comm. 2004.
[42] B. Dittrich, T. Koritsanszky, A. Volkov, S. Mebs, P. Luger, Novel approaches to the experimental charge density of Vitamin B₁₂, Angew. Chem. Int. Ed. 2007, 46, 2935.
[43] J. Ridout, M. R. Probert, Low-temperature and high-pressure polymorphs of isopropyl alcohol, CrystEngComm 2014, 16, 7397.
[44] P. Derollez, A. Hédoux, Y. Guinet, F. Danède, L. Pac-cou, Structure determination of the crystalline phase of n-butanol by powder X-ray diffraction and study of in-termolecular associations by Raman spectroscopy, Acta Cryst. 2013, B69, 195.
[45] M. Podsiadło, E. Patyk, A. Katrusiak, Chiral aggrega-tion hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol, CrystEngComm 2012, 14, 6419.
[46] C. H. Görbitz, L-Leucyl-L-leucine 2-methyl-1-propanol solvate, Acta Cryst. 1999, C55, 670.
[47] P. A. McGregor, D. R. Allan, S. Parsons, S. J. Clark, Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C₄H₁₀O), Acta Cryst. 2006, B62, 599.
[48] R. Boese, H.-C. Weiss, 1,2-Ethanediol (ethylene glycol) at 130K, Acta Cryst. 1998, C54, IUC9800024.
[49] T. Kusukawa, G. Niwa, T. Sasaki, R. Oosawa, W. Himeno, M. Kato, Observation of a hydrogen-bonded 3D structure of crystalline glycerol, Bull. Chem. Soc. Jpn. 2013, 86, 351.
[50] K. Vojinović, U. Losehand, N. W. Mitzel, Di-chlorosilane–dimethyl ether aggregation: a new motif in halosilane adduct formation, Dalton Trans. 2004, 2578.
[51] D. André, R. Fourme, K. Zechmeister, Crystal and mo-lecular structure of diethyl ether at 128°K, Acta Cryst. 1972, B28, 2389.
[52] S.-X. Weng, B. H. Torrie, B. M. Powell, The crystal structure of formaldehyde, Mol. Phys. 1989, 68, 25.
[53] M. T. Kirchner, D. Bläser, R. Boese, Co-crystals with acetylene: small is not simple!, Chem. Eur. J. 2010, 16, 2131.
[54] H. Lv, L. Zhu, Y.-Q. Tang, J.-M. Lu, Structure–activity relationship of N-heterocyclic carbene–Pd(II)–imidazole complexes in Suzuki–Miyaura coupling between 4-methoxyphenyl chloride and phenylboronic acid, Appl. Organomet. Chem. 2013, 28, 27.
[55] H. E. Maynard-Casely, N. S. Yevstigneyev, S. G. Duy-ker, C. Ennis, The crystal structure, thermal expansion and far-IR spectrum of propanal (CH₃CH₂CHO) deter-mined using powder X-ray diffraction, neutron scatter-ing, periodic DFT and synchrotron techniques, Phys. Chem. Chem. Phys. 2022, 24, 122.
[56] D. R. Allan, S. J. Clark, R. M. Ibberson, S. Parsons, C. R. Pulham, L. Sawyer, The influence of pressure and temperature on the crystal structure of acetone, Chem. Comm. 1999, 8, 751.
[57] A. Albinati, K. D. Rouse, M. W. Thomas, Neutron powder diffraction analysis of hydrogen-bonded solids. II. Structural study of formic acid at 4.5 K, Acta Cryst. 1978, B34, 2188.
[58] D. Wiechert, D. Mootz, T. Dahlems, The formic acid 1D array with H bonds all reversed: Structure of a cocrystal with hydrogen fluoride, J. Am. Chem. Soc. 1997, 119, 12665.
[59] A. Dawson, D. R. Allan, P. Parsons, M. Ruf, Use of a CCD diffractometer in crystal structure determinations at high pressure, J. Appl. Cryst. 2004, 37, 410.
[60] A. D. Boese, M. Kirchner, G. A. Echeverria, R. Boese, Ethyl acetate: X-ray, solvent and computed structures, ChemPhysChem 2013, 14, 799.
[61] T. S. Cameron, K. M. Mannan, M. O. Rahman, The crystal structure of sodium acetate trihydrate, Acta Cryst. 1976, B32, 87.
[62] E. A. Klop, A. Schouten, P. van der Sluis, A. L. Spek, Structure of calcium acetate monohydrate, Ca(CH₃COO)₂·H₂O, Acta Cryst. 1984, C40, 51.
[63] R. W. Seidel, R. Goddard, N. Nöthling, C. W. Leh-mann, Acetic anhydride at 100 K: the first crystal struc-ture determination, Acta Cryst. 2016, C72, 753.
[64] F. J. Strieter, D. H. Templeton, R. F. Scheuerman, R. L. Sass, The crystal structure of propionic acid, Acta Cryst. 1962, 15, 1233.
[65] A. Johnston, A. J. Florence, F. J. A. Fabbiani, K. Shank-land, C. T. Bedford, Cytenamide-butyric acid (1/1), Ac-ta Cryst. 2008, E64, o1295.
[66] J. L. Derissen, P. H. Smith, Refinement of the crystal structures of anhydrous α- and β-oxalic acids, Acta Cryst. 1974, B30, 2240.
[67] F. R. Ahmed, D. W. J. Cruickshank, A refinement of the crystal structure analyses of oxalic acid dihydrate, Acta Cryst. 1953, 6, 385.
[68] D. A. Reed, M. M. Olmstead, Sodium oxalate structure refinement, Acta Cryst. 1981, B37, 938.
[69] N. S. Blom, J. A. Kanters, W. M. M. Heijnen, Calcium oxalate trihydrate, CaC₂O₄·3H₂O, Cryst. Struct. Comm. 1981, 10, 1283.
[70] H. Küppers, The crystal structure of ammonium hydro-gen oxalate hemihydrate, Acta Cryst. 1973, B29, 318.
[71] M. Currie, J. C. Speakman, N. A. Curry, The crystal structures of the acid salts of some dibasic acids. Part I. A neutron-diffraction study of ammonium (and potassi-um) tetroxalate, J. Chem. Soc. A 1967, 1862.
[72] J. Vijayalakshmi, R. Srinivasan, The structure of hexa-methylenediammonium bis(monohydrogen oxalate) monohydrate, C₆H₁₈N₂²⁺.2C₂HO₄⁻.H₂O, Acta Cryst. 1983, C39, 908.
[73] E. A. Losev, B. A. Zakharov, T. N. Drebushchak, E. V. Boldyreva, Glycinium semi-malonate and a glutaric ac-id-glycine cocrystal: New structures with short O-H...O hydrogen bonds, Acta Cryst. 2011, C67, o297.
[74] R. S. Gopalan, P. Kumaradhas, G. U. Kulkarni, Struc-tural phase transition in adipic acid, J. Solid State Chem. 1999, 148, 129.
[75] H.-S. Chang, J.-L. Lin, Urea–adipic acid (2/1), Acta Cryst. 2011, E67, o1317.
[76] M. N. G. James, G. J. B. Williams, A refinement of the crystal structure of maleic acid, Acta Cryst. 1974, B30, 1249.
[77] J. V. Pratap, R. Ravishankar, M. Vijayan, X-ray studies on crystalline complexes involving amino acids and pep-tides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with L-histidine and L-lysine, Acta Cryst. 2000, B56, 690.
[78] M. Lutz, Maleic anhydride, redetermination at 130 K, Acta Cryst. 2001, E57, o1136.
[79] C. J. Brown, The crystal structure of fumaric acid, Acta Cryst. 1966, 21, 1.
[80] S. Aitipamula, A. B. H. Wong, P. S. Chowa, R. B. H. Tan, Pharmaceutical cocrystals of ethenzamide: Struc-tural, solubility and dissolution studies, CrystEngComm 2012, 14, 8515.
[81] H. Kusanagi, Y. Chatani, H. Tadokoro, The crystal structure of isotactic poly(methyl methacrylate): Pack-ing-mode of double stranded helices, Polymer 1994, 35, 2028.
[82] F. Kaneko, M. Kobayashi, Y. Kitagawa, Y. Matsuura, Structure of stearic acid E form, Acta Cryst. 1990, C46, 1490.
[83] A. van Langevelde, R. Peschar, H. Schenk, Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data, Acta Cryst. 2001, B57, 372.
[84] L. A. Smith, R. B. Hammond, K. J. Roberts, D. Machin, G. McLeod, Determination of the crystal structure of anhydrous sodium dodecyl sulphate using a combination of synchrotron radiation powder diffraction and mo-lecular modelling techniques, J. Mol. Struct. 2000, 554, 173.
[85] V. M. Coiro, M. Manigrasso, F. Mazza, G. Pochetti, Structure of a triclinic phase of sodium dodecyl sulfate monohydrate. A comparison with other sodium dodecyl sulfate crystal phases, Acta Cryst. 1987, C43, 850.
[86] A. A. Espenbetov, M. Y. Antipin, Y. T. Struchkov, V. A. Philippov, V. G. Tsirel'son, R. P. Ozerov, B. S. Svet-lov, Structure of 1,2,3-propanetriol trinitrate (β Modifi-cation), C₃H₅N₃O₉, Acta Cryst. 1984, C40, 2096.
[87] W. P. Binnie, J. M. Robertson, The crystal structure of hexamethylenediamine, Acta Cryst. 1950, 3, 424.
[88] F. K. Winkler, J. D. Dunitz, Medium-ring compounds. XIX. Caprolactam: structure refinement, Acta Cryst. 1975, B31, 268.
[89] J. Yang, C. T. Hu, E. Reiter, B. Kahr, Ambient L-lactic acid crystal polymorphism, CrystEngComm 2021, 23, 2644.
[90] Y. Okaya, N. R. Stemple, M. I. Kay, Refinement of the structure of D-tartaric acid by X-ray and neutron dif-fraction, Acta Cryst. 1966, 21, 237.
[91] R. Kuroda, S. F. Mason, Crystal structures of dextroro-tatory and racemic sodium ammonium tartrate, J. Chem. Soc., Dalton Trans. 1981, 6, 1268.
[92] Y. Iitaka, The crystal structure of γ-glycine, Acta Cryst. 1961, 14, 1.
[93] H. J. Jr. Simpson, R. E. Marsh, The crystal structure of L-alanine, Acta Cryst. 1966, 550.
[94] A. V. Churakov, P. V. Prikhodchenko, J. A. K. How-ard, O. Lev, Glycine and l-serine crystalline perhydrates, Chem. Comm. 2009, 28, 4224.
[95] G. M. Brown, H. Levy, α-D-Glucose: Precise determina-tion of crystal and molecular structure by neutron-diffraction analysis, Science 1965, 147, 1038.
[96] W. G. Ferrier, The crystal and molecular structure of β-D-glucose, Acta Cryst. 1963, 16, 1023.
[97] J. Guo, Y. Lu, R. Whiting, Metal-ion interactions with sugars. The crystal structure of CaCl₂-fructose complex, Bull. Korean Chem. Soc. 2012, 33, 2028.
[98] F. Takusagawa, R. A. Jacobson, The crystal and molecu-lar structure of α-maltose, Acta Cryst. 1978, B34, 213.
[99] M. Bolte, M. Amon, CCDC 156796: Experimental crys-tal structure determination, CSD Comm. 2001.
[100] Y. Nishiyama, P. Langan, H. Chanzy, Crystal structure and hydrogen-bonding system in cellulose Iβ from syn-chrotron X-ray and neutron fiber diffraction, J. Am. Chem. Soc. 2002, 124, 9074.
[101] G. J. Piermarini, A. D. Mighell, C. E. Weir, S. Block, Crystal Structure of Benzene II at 25 Kilobars, Science 1969, 165, 1250.
[102] H. E. Maynard-Casely, R. Hodyss, M. L. Cable, T. H. Vu, M. Rahm, A co-crystal between benzene and ethane: A potential evaporite material for Saturn's moon Titan, IUCrJ 2016, 3, 192.
[103] A. V. Vasilyev, S. V. Lindeman, J. K. Kochi, Molecular structures of the metastable charge-transfer complexes of benzene (and toluene) with bromine as the pre-reactive intermediates in electrophilic aromatic bromina-tion, New J. Chem. 2002, 26, 582.
[104] R. M. Ibberson, W. I. F. David, M. Prager, Accurate determination of hydrogen atom positions in α-toluene by neutron powder diffraction, J. Chem. Soc., Chem. Comm. 1992, 19, 1438.
[105] A. V. Vasilyev, S. V. Lindeman, J. K. Kochi, Noncova-lent binding of the halogens to aromatic donors. Dis-crete structures of labile Br₂ complexes with benzene and toluene, Chem. Comm. 2001, 10, 909.
[106] R. M. Ibberson, C. Morrison, M. Prager, Neutron pow-der and ab initio structure of ortho-xylene: the influence of crystal packing on phenyl ring geometry at 2 K, Chem. Comm. 2000, 7, 539.
[107] R. M. Ibberson, W. I. F. David, S. Parsons, M. Prager, K. Shankland, The crystal structures of m-xylene and p-xylene, C₈D₁₀, at 4.5 K, J. Mol. Struct. 2000, 524, 121.
[108] H. van Koningsveld, A. J. van den Berg, J. C. Jansen, R. de. Goede, On a possible substitution of p-xylene by toluene in p-xylene crystals. The crystal structure of p-xylene, C₈H₁₀, at 180 K, Acta Cryst. 1986, B42, 491.
[109] N. Yasuda, H. Uekusa, Y. Ohashi, Styrene at 83 K, Acta Cryst. 2001, E57, o1189.
[110] H. C. Alt, J. Kalus, X-ray powder diffraction investiga-tion of naphthalene up to 0.5 GPa, Acta Cryst. 1982, B38, 2595.
[111] A. Banerjee, C. J. Brown, Picric acid-naphthalene 1/1 π complex, C₆H₃N₃O₇.C₁₀H₈. A disordered structure, Acta Cryst. 1985, C41, 82.
[112] R. Mason, The crystallography of anthracene at 95°K and 290°K, Acta Cryst. 1964, 17, 547.
[113] N. K. Nath, P. Naumov, In situ crystallization and crys-tal structure determination of chlorobenzene, Maced. J. Chem. Chem. Eng. 2015, 34, 63.
[114] G. L. Wheeler, S. D. Colson, γ-Phase p-dichlorobenzene at 100 K, Acta Cryst. 1975, B31, 911.
[115] M. V. Korobov, A. L. Mirakian, N. V. Avramenko, E. F. Valeev, I. S. Neretin, Y. L. Slovokhotov, A. L. Smith, G. Olofsson, R. S. Ruoff, C₆₀·bromobenzene solvate: Crystallographic and thermochemical studies and their relationship to C₆₀ solubility in bromobenzene, J. Phys. Chem. B 1998, 102, 3712.
[116] R. Boese, D. Bläser, M. Nussbaumer, T. M. Krygowski, Low temperature crystal and molecular structure of ni-trobenzene, Struct. Chem. 1992, 3, 363.
[117] J. Trotter, C. S. Williston, Bond lengths and thermal vibrations in m-dinitrobenzene, Acta Cryst. 1966, 21, 285.
[118] J. C. Barnes, T. J. R. Weakley, CCDC 262933: Experi-mental crystal structure determination, CSD Comm. 2005.
[119] W. R. Carper, L. P. Davis, M. W. Extine, Molecular structure of 2,4,6-trinitrotoluene, J. Phys. Chem. 1982, 86, 459.
[120] K. B. Landenberger, A. J. Matzger, Cocrystal engineer-ing of a prototype energetic material: Supramolecular chemistry of 2,4,6-trinitrotoluene, Cryst. Growth Des. 2010, 10, 5341.
[121] P. Manana, E. C. Hosten, R. Betz, Crystal structure of benzenesulphonic acid, Z. Kristallogr. NCS 2021, 236, 97.
[122] J. P. Smit, CCDC 2067592: Experimental crystal struc-ture determination, CSD Comm. 2021.
[123] S. M. Martin, J. Yonezawa, M. J. Horner, C. W. Macos-ko, M. D. Ward, Structure and rheology of hydrogen bond reinforced liquid crystals, Chem. Mater. 2004, 16, 3045.
[124] D. R. Allan, S. J. Clark, A. Dawson, P. A. McGregor, S. Parsons, Pressure-induced polymorphism in phenol, Acta Cryst. 2002, B58, 1018.
[125] W. Fang, X. Ye, Y. Zhang, Y. Zhang, S. Jin, W. Xu, D. Wang, Nine supramolecular adducts of 4-dimethylaminopyridine and organic acids constructed by classical H-bonds and some noncovalent interactions, J. Mol. Struct. 2020, 1202, 127321.
[126] L. Tatar, G. Gökagac, D. Ülkü, (2,4,6-tribromophenolato-O)copper(II), Acta Cryst. 2000, C56, 668.
[127] R. E. Dinnebier, M. Pink, J. Sieler, P. W. Stephens, Novel alkali-metal coordination in phenoxides: Powder diffraction results on C₆H₅OM (M = Li, Na, K, Rb, Cs), Inorg. Chem. 1997, 36, 3398.
[128] M. Kunert, E. Dinjus, M. Nauck, J. Sieler, Structure and reactivity of sodium phenoxide - Following the course of the Kolbe-Schmitt reaction, Chem. Ber. 1997, 130, 1461.
[129] J. Sieler, M. Pink, G. Zahn, Zur Struktur von zwei Hy-draten des Natriumphenolats: C₆H₅ONa·H₂O und C₆H₅ONa·3H₂O, Z. Anorg. Allg. Chem. 1994, 620, 743.
[130] M. Kunert, G. Zahn, J. Sieler, Methanol als Ligand in Natriumphenolat: Darstellung und Struktur von [Na(CH₃OH)₄][OC₆H₅], Z. Anorg. Allg. Chem. 1995, 621, 1597.
[131] W. Czado, U. Müller, Crystal structure of sodium phe-nolate-acetonitrile (1/1), NaOC₆H₅·CH₃CN, Kristallogr. NCS 1999, 214, 63.
[132] I. D. H. Oswald, W. A. Crichton, Structural similarities of 2-chlorophenol and 2-methylphenol, CrystEngComm 2009, 11, 463.
[133] N. Wang, H. Hao, H. Lu, R. Xu, Molecular recognition and self-assembly mechanism of cocrystallization pro-cesses, CrystEngComm 2017, 19, 3746.
[134] E. Batisai, V. J. Smith, S. A. Bourne, N. B. Báthori, Solid state structures of p-cresol revisited, CrystEngComm 2015, 17, 5134.
[135] C. J. Brown, The crystal structure of catechol, Acta Cryst. 1966, 21, 170.
[136] Q. Zhu, A. G. Shtukenberg, D. J. Carter, T.-Q. Yu, J. Yang, M. Chen, P. Raiteri, A. R. Oganov, B. Pokroy, I. Polishchuk, P. J. Bygrave, G. M. Day, A. L. Rohl, M. E. Tuckerman, B. Kahr, Resorcinol crystallization from the melt: A new ambient phase and new “Riddles”, J. Am. Chem. Soc. 2016, 138, 4881.
[137] K. Maartmann-Moe, The crystal structure of γ-hydroquinone, Acta Cryst. 1966, 21, 979.
[138] J.-P. Torré, R. Coupan, M. Chabod, E. Pere, S. Labat, A. Khoukh, R. Brown, J.-M. Sotiropoulos, H. Gornitz-ka, CO₂–hydroquinone clathrate: Synthesis, purification, characterization and crystal structure, Cryst. Growth Des. 2016, 16, 5330.
[139] K. Harata, K. Uekama, M. Otagiri, F. Hirayama, Y. Ohtani, The structure of the cyclodextrin complex. XVIII. Crystal structure of β-cyclodextrin–benzyl alco-hol (1:1) complex pentahydrate, Bull. Chem. Soc. Jpn. 1985, 58, 1234.
[140] N. T. Tran, T. Min, A. K. Franz, Silanediol hydrogen bonding activation of carbonyl compounds, Chem. Eur. J. 2011, 17, 9897.
[141] D. C. Haagenson, G. R. Lief, L. Stahl, R. J. Staples, N-versus O-silylation in cis-[(ᵗBuHN)O=P(μ-NᵗBu)₂P=O(NHᵗBu)] and [Me₂Si(μ-NᵗBu)₂P=O(NHPh)]. Solid-state structures of their si-lylation products, of co-crystalline cis-[(ᵗBuHN)O=P(μ-NᵗBu)₂P=O(NHᵗBu)], and of {[Me₂Si(μ-NᵗBu)₂=O(N(SiMe₃)Ph)]VCl₃}, J. Organomet. Chem. 2008, 693, 2748.
[142] H. Osseili, K.-N. Truong, T. P. Spaniol, D. Mukherjee, U. Englert, J. Okuda, Mononuclear alkali metal organ-operoxides stabilized by an NNNN-macrocycle and short hydrogen bonds from ROOH molecules, Chem. Eur. J. 2017, 23, 17213.
[143] G. Bruno, L. Randaccio, A refinement of the benzoic acid structure at room temperature, Acta Cryst. 1980, B36, 1711.
[144] O. Ermer, Ungewöhnliches Strukturmerkmal kristalliner Phthalsäure, Helv. Chim. Acta 1981, 64, 1902.
[145] J. Xie, W. Wen, Y. Xuan, Crystal structure of a hydrate complex of phthalic acid [phth = o-phthalate], Anal. Sci.: X-ray Struct. Anal. Online 2008, 24, x95.
[146] R. B. Bates, R. S. Cutler, Phthalic anhydride, Acta Cryst. 1977, B33, 893.
[147] R. P. Sharma, R. Bala, R. Sharma, B. M. Kariuki, U. Rychlewska, B. Warżajtis, Role of second-sphere coor-dination in anion binding: Synthesis, characterization and X-ray structure of hexaamminecobalt(III) chloride hydrogen phthalate trihydrate and sodium hexaam-minecobalt(III) benzoate monohydrate, J. Mol. Struct. 2005, 748, 143.
[148] J. L. Derissen, The crystal structure of isophthalic acid, Acta Cryst. 1974, B30, 2764.
[149] M. Bailey, C. J. Brown, The crystal structure of tereph-thalic acid, Acta Cryst. 1967, 22, 387.
[150] W. Cochran, The crystal and molecular structure of sali-cylic acid, Acta Cryst. 1953, 6, 260.
[151] E. T. Spielberg, P. S. Campbell, K. C. Szeto, B. Mallick, J. Schaumann, A.-V. Mudring, Sodium salicylate: An in-depth thermal and photophysical study, Chem. Eur. J. 2018, 24, 15638.
[152] M. Kawahata, S. Komagawa, K. Ohara, M. Fujita, K. Yamaguchi, High-resolution X-ray structure of methyl salicylate, a time-honored oily medicinal drug, solved by crystalline sponge method, Tetrahedron Lett. 2016, 57, 4633.
[153] T. Matsumoto, A. Yamano, T. Sato, J. D. Ferrara, F. J. White, M. Meyer, "What is this?" A structure analysis tool for rapid and automated solution of small molecule structures, J. Chem. Cryst. 2021, 51, 438.
[154] M. Fukuyo, K. Hirotsu, T. Higuchi, The structure of aniline at 252 K, Acta Cryst. 1982, B38, 640.
[155] A. R. Choudhury, D. S. Yufit, J. A. K. Howard, In situ co-crystallization of cresols with aniline and fluoroan-ilines: Subtle interplay of strong and weak hydrogen bonds, Z. Kristallogr. Cryst. Mater. 2014, 229, 625.
[156] K. M. Anderson, A. E. Goeta, K. S. B. Hancock, J. W. Steed, Unusual variations in the incidence of Z′ > 1 in oxo-anion structures, Chem. Comm. 2006, 20, 2138.
[157] C. Rømming, The structure of benzene diazonium chlo-ride, Acta Chem. Scand. 1963, 17, 1444.
[158] V. R. Hathwar, T. S. Thakur, T. N. G. Row, G. R. De-siraju, Transferability of multipole charge density pa-rameters for supramolecular synthons: A new tool for quantitative crystal engineering, Cryst. Growth Des. 2011, 11, 616.
[159] F. S. Ihlefeldt, F B. Pettersen, A. von Bonin, M. Zawadzka, C. H. Görbitz, The polymorphs of L-phenylalanine, Angew. Chem. Int. Ed. 2014, 53, 13600.
[160] É. B. Shamuratov, A. S. Batsanov, Y. T. Struchkov, A. Shukurov, A. G. Makhsumov, V. K. Sabirov, Crystal structure of 4-hydroxyazobenzene, J. Struct. Chem. 1991, 32, 447.
[161] J. Shi, D.-S. Guo, F. Ding, Y. Liu, Unique regioselective binding of permethylated β-cyclodextrin with azoben-zene derivatives, Eur. J. Org. Chem. 2009, 6, 923.
[162] Y. Liu, Y.-L. Zhao, Y. Chena, D.-S. Guo, Assembly behavior of inclusion complexes of β-cyclodextrin with 4-hydroxyazobenzene and 4-aminoazobenzene, Org. Bi-omol. Chem. 2005, 3, 584.
[163] C.-y. Liu, V. Lynch, A. J. Bard, Effect of an electric field on the growth and optoelectronic properties of quasi-one-dimensional organic single crystals of 1-(phenylazo)-2-naphthol, Chem. Mater. 1997, 9, 943.
[164] A. R. Kennedy, B. A. Kirkhouse, K. M. McCarney, O. Puissegur, W. E. Smith, E. Staunton, J. Teat, J. C. Cher-ryman, R. James, Supramolecular motifs in s-block met-al-bound sulfonated monoazo dyes, part 1: Structural class controlled by cation type and modulated by sul-fonate aryl ring position, Chem. Eur. J. 2004, 10, 4606.
[165] N. J. Burke, A. D. Burrows, M. F. Mahona, S. J. Teat, Incorporation of sulfonate dyes into hydrogen-bonded networks, CrystEngComm 2004, 6, 429.
[166] J. B. Benedict, D. E. Cohen, S. Lovell, A. L. Rohl, B. K., What is syncrystallization? States of the pH indica-tor methyl red in crystals of phthalic acid, J. Am. Chem. Soc. 2006, 128, 5548.
[167] L. J. Fitzgerald, R. E. Gerkin, Phenolphthalein and 3',3''-dinitrophenolphthalein, Acta Cryst. 1998, C54, 535.
[168] H. Sugiura, T. Kato, H. Senda, K. Kunimoto, A. Ku-wae, K. Hanai, Crystal structure of phenolphthalein, Anal. Sci. 1999, 15, 611.
[169] R. C. Medrud, The crystal structure of ninhydrin, Acta Cryst. 1969, B25, 213.
[170] H. H. Mooy, Crystal structure of methane, Nature 1931, 127, 707.
[171] M. T. Kirchner, R. Boese, W. E. Billups, L. R. Norman, Gas hydrate single-crystal structure analyses, J. Am. Chem. Soc. 2004, 126, 9407.
[172] G. L. Geis, Checklisting, J. Instr. Dev. 1984, 7, 2.
