Information card for entry 2202015

Structure parameters

• Chemical name: N-(4-bromophenyl)pyridine-2-carboxamide
• Formula: C12 H9 Br N2 O
• Calculated formula: C12 H9 Br N2 O
• SMILES: Brc1ccc(NC(=O)c2ncccc2)cc1
• Title of publication: <i>N</i>-(4-Bromophenyl)pyridine-2-carboxamide
• Authors of publication: Qi, Jian Ying; Yang, Qi Yun; Lam, Kim Hung; Zhou, Zhong Yuan; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o374 - o375
• a: 6.2634 ± 0.0011 Å
• b: 8.2355 ± 0.0015 Å
• c: 10.9828 ± 0.0018 Å
• α: 88.282 ± 0.004°
• β: 87.215 ± 0.004°
• γ: 78.268 ± 0.003°
• Cell volume: 553.91 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• 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: 0.0825
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes