Information card for entry 1545831

Structure parameters

• Common name: ACETAZOLAMIDE;2 PYRIDONE
• Formula: C14 H16 N6 O5 S2
• Calculated formula: C14 H16 N6 O5 S2
• SMILES: s1c(NC(=O)C)nnc1S(=O)(=O)N.O=c1[nH]cccc1.O=c1[nH]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: 6.8501 ± 0.0003 Å
• b: 11.3563 ± 0.0006 Å
• c: 12.3387 ± 0.0008 Å
• α: 82.288 ± 0.005°
• β: 81.856 ± 0.004°
• γ: 75.804 ± 0.004°
• Cell volume: 916.19 ± 0.09 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: 0.0668
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No