Information card for entry 7225539

Structure parameters

• Common name: Tolbutamide form II
• Chemical name: N-(Butylcarbamoyl)-4-methylbenzenesulfonamide
• Formula: C12 H18 N2 O3 S
• Calculated formula: C12 H18 N2 O3 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)NC(=O)NCCCC
• Title of publication: Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide
• Authors of publication: Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 30
• Pages of publication: 5736
• a: 9.0256 ± 0.0002 Å
• b: 17.1443 ± 0.0005 Å
• c: 17.7904 ± 0.0005 Å
• α: 90°
• β: 94.268 ± 0.003°
• γ: 90°
• Cell volume: 2745.21 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No