Information card for entry 4502908

Structure parameters

• Formula: C19 H24 N12 O13 S6
• Calculated formula: C19 H24 N12 O13 S6
• SMILES: s1c(S(=O)(=O)N)nnc1NC(=O)C.s1c(S(=O)(=O)N)nnc1NC(=O)C.s1c(S(=O)(=O)N)nnc1NC(=O)C.OC(=O)c1c(O)c(O)ccc1
• Title of publication: Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids
• Authors of publication: Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 811 - 824
• a: 9.763 ± 0.003 Å
• b: 14.434 ± 0.004 Å
• c: 22.839 ± 0.007 Å
• α: 90°
• β: 94.942 ± 0.006°
• γ: 90°
• Cell volume: 3206.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No