Information card for entry 1545833

Structure parameters

• Common name: ACETAZOLAMIDE;DMSO
• Formula: C5 H9 N4 O3.5 S2.5
• Calculated formula: C5 H9 N4 O3.5 S2.5
• SMILES: S(=O)(=O)(N)c1sc(nn1)NC(=O)C.S(=O)(C)C
• Title of publication: Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides
• Authors of publication: Bolla, Geetha; Nangia, Ashwini
• Journal of publication: IUCrJ
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 152 - 160
• a: 52.62 ± 0.03 Å
• b: 4.816 ± 0.002 Å
• c: 17.814 ± 0.009 Å
• α: 90°
• β: 106.785 ± 0.013°
• γ: 90°
• Cell volume: 4322 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No