Information card for entry 7228019

Structure parameters

• Common name: tolazamide
• Chemical name: N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide
• Formula: C14 H21 N3 O3 S
• Calculated formula: C14 H21 N3 O3 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)NC(=O)NN1CCCCCC1
• Title of publication: Effect of pressure on two polymorphs of tolazamide: why no interconversion?
• Authors of publication: Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 2243
• a: 5.8202 ± 0.0003 Å
• b: 8.536 ± 0.005 Å
• c: 12.7885 ± 0.0014 Å
• α: 80.81 ± 0.02°
• β: 85.069 ± 0.006°
• γ: 85.606 ± 0.014°
• Cell volume: 623.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 4030000 kPa
• Ambient diffracton pressure: 4030000 kPa
• 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: 0.1015
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No