Information card for entry 1545838

Structure parameters

• Common name: ACETAZOLAMIDE; VALEROLACTAM
• Formula: C14 H24 N6 O5 S2
• Calculated formula: C14 H24 N6 O5 S2
• SMILES: s1c(NC(=O)C)nnc1S(=O)(=O)N.O=C1NCCCC1.O=C1NCCCC1
• 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: 9.66166 ± 0.00019 Å
• b: 23.4685 ± 0.0004 Å
• c: 8.84352 ± 0.00017 Å
• α: 90°
• β: 100.773 ± 0.0019°
• γ: 90°
• Cell volume: 1969.88 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No