Information card for entry 2202156

Structure parameters

• Common name: 2-Bromo-N(p-Toluenesulfonyl)pyrrole
• Chemical name: 2-Bromo-N(p-Toluenesulfonyl)pyrrole
• Formula: C11 H10 Br N O2 S
• Calculated formula: C11 H10 Br N O2 S
• Title of publication: 2-Bromo-<i>N</i>-(<i>p</i>-toluenesulfonyl)pyrrole
• Authors of publication: Knight, Lea W.; Padgett, Clifford W.; Huffman, John W.; Pennington, William T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o762 - o764
• a: 7.6482 ± 0.0013 Å
• b: 16.307 ± 0.002 Å
• c: 10.2114 ± 0.0017 Å
• α: 90°
• β: 110.233 ± 0.003°
• γ: 90°
• Cell volume: 1195 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes