Information card for entry 1545836

Structure parameters

• Common name: ACETAZOLAMIDE;NICOTINAMIDE; 2 PYRIDONE
• Formula: C15 H17 N7 O5 S2
• Calculated formula: C15 H17 N7 O5 S2
• SMILES: s1c(NC(=O)C)nnc1S(=O)(=O)N.O=C(N)c1cnccc1.[nH]1c(=O)cccc1
• 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: 7.0347 ± 0.0003 Å
• b: 10.2539 ± 0.0007 Å
• c: 13.7934 ± 0.0009 Å
• α: 81.685 ± 0.006°
• β: 83.028 ± 0.005°
• γ: 88.283 ± 0.005°
• Cell volume: 977.14 ± 0.1 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: 0.0651
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No