Information card for entry 2236189

Structure parameters

• Chemical name: 4-Bromo-1<i>H</i>-pyrrole-2-carboxylic acid
• Formula: C5 H4 Br N O2
• Calculated formula: C5 H4 Br N O2
• Title of publication: 4-Bromo-1<i>H</i>-pyrrole-2-carboxylic acid
• Authors of publication: Zheng, Le; Hu, Fang; Zeng, Xiang Chao; Li, Kai Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2689
• a: 16.0028 ± 0.0013 Å
• b: 4.9046 ± 0.0006 Å
• c: 8.2367 ± 0.0007 Å
• α: 90°
• β: 93.199 ± 0.007°
• γ: 90°
• Cell volume: 645.47 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes