Information card for entry 1545837

Structure parameters

• Common name: ACETAZOLAMIDE; 3 OME 2 PYRIDONE
• Formula: C10 H15 N5 O6 S2
• Calculated formula: C10 H15 N5 O6 S2
• SMILES: S(=O)(=O)(N)c1sc(NC(=O)C)nn1.O=c1[nH]cccc1OC.O
• 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: 7.7872 ± 0.0006 Å
• b: 10.213 ± 0.0007 Å
• c: 10.2464 ± 0.0007 Å
• α: 88.192 ± 0.005°
• β: 76.587 ± 0.006°
• γ: 77.996 ± 0.006°
• Cell volume: 775.22 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No