Information card for entry 4502909

Structure parameters

• Formula: C16 H18 N8 O5 S2
• Calculated formula: C16 H18 N8 O5 S2
• SMILES: s1c(S(=O)(=O)N)nnc1NC(=O)C.n1c(cccc1)C(=O)N.n1c(cccc1)C(=O)N
• 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: 8.6156 ± 0.0012 Å
• b: 10.4253 ± 0.0014 Å
• c: 11.6675 ± 0.0016 Å
• α: 79.91 ± 0.002°
• β: 86.334 ± 0.002°
• γ: 88.606 ± 0.002°
• Cell volume: 1029.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No