Information card for entry 2210553

Structure parameters

• Chemical name: N-(4-Chlorophenyl)picolinamide
• Formula: C12 H9 Cl N2 O
• Calculated formula: C12 H9 Cl N2 O
• SMILES: Clc1ccc(NC(=O)c2ncccc2)cc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)picolinamide
• Authors of publication: Zhang, Qiang; Zhang, Shu-Ping; Shao, Si-Chang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4695 - o4696
• a: 6.308 ± 0.003 Å
• b: 8.251 ± 0.003 Å
• c: 10.766 ± 0.004 Å
• α: 87.358 ± 0.004°
• β: 86.463 ± 0.004°
• γ: 77.518 ± 0.004°
• Cell volume: 545.7 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0716
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes