Information card for entry 8106610

Structure parameters

• Formula: C9 H8 Br F2 N O2 S
• Calculated formula: C9 H8 Br F2 N O2 S
• SMILES: Brc1c(cc(c(c1)F)S(=O)(=O)NC1CC1)F
• Title of publication: The crystal structure of 4-bromo-N-cyclopropyl-2,5-difluorobenzenesulfonamide, C9H8BrF2NO2S
• Authors of publication: Liu, Li; Wu, Ming-Yuan; Huang, Chao; Teng, Ming-Gang; Cao, Jian-Xin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 585 - 586
• a: 7.5277 ± 0.0006 Å
• b: 8.373 ± 0.0007 Å
• c: 9.8785 ± 0.0009 Å
• α: 92.637 ± 0.003°
• β: 111.201 ± 0.002°
• γ: 105.856 ± 0.002°
• Cell volume: 551.08 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No