Information card for entry 1545835

Structure parameters

• Common name: ACETAZOLAMIDE;NICOTINAMIDE
• Formula: C10 H12 N6 O4 S2
• Calculated formula: C10 H12 N6 O4 S2
• SMILES: S(=O)(=O)(N)c1sc(nn1)NC(=O)C.O=C(N)c1cnccc1
• 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: 5.1477 ± 0.0008 Å
• b: 10.8147 ± 0.0014 Å
• c: 14.2604 ± 0.0016 Å
• α: 69.797 ± 0.011°
• β: 85.463 ± 0.012°
• γ: 81.889 ± 0.012°
• Cell volume: 737.2 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No