Information card for entry 1545834

Structure parameters

• Common name: ACETAZOLAMIDE;6 Me 2 PYRIDONE
• Formula: C10 H13 N5 O4 S2
• Calculated formula: C10 H13 N5 O4 S2
• SMILES: S(=O)(=O)(N)c1sc(nn1)NC(=O)C.O=c1[nH]c(ccc1)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: 11.3972 ± 0.0007 Å
• b: 18.1641 ± 0.0003 Å
• c: 10.338 ± 0.003 Å
• α: 90°
• β: 97.046 ± 0.016°
• γ: 90°
• Cell volume: 2124 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No