Information card for entry 2221355

Structure parameters

• Chemical name: 4-Fluoro-<i>N</i>-methyl-<i>N</i>-(1,2,3,4- tetrahydrocarbazol-3-yl)benzenesulfonamide
• Formula: C19 H19 F N2 O2 S
• Calculated formula: C19 H19 F N2 O2 S
• SMILES: S(=O)(=O)(N(C1Cc2c3c([nH]c2CC1)cccc3)C)c1ccc(F)cc1
• Title of publication: 4-Fluoro-<i>N</i>-methyl-<i>N</i>-(1,2,3,4-tetrahydrocarbazol-3-yl)benzenesulfonamide
• Authors of publication: Rasmussen, Kaspar Gothardt; Ulven, Trond; Bond, Andrew D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o742
• a: 15.2748 ± 0.0007 Å
• b: 12.0319 ± 0.0006 Å
• c: 9.443 ± 0.0004 Å
• α: 90°
• β: 102.445 ± 0.002°
• γ: 90°
• Cell volume: 1694.7 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes