Information card for entry 2205754

Structure parameters

• Common name: 2-Chloronicotinic acid
• Chemical name: 2-Chloropyridine-3-carboxylic acid
• Formula: C6 H4 Cl N O2
• Calculated formula: C6 H4 Cl N O2
• SMILES: Clc1ncccc1C(=O)O
• Title of publication: 2-Chloropyridine-3-carboxylic acid
• Authors of publication: Souza, Marcus V. N. de; Wardell, Solange M. S. V.; Howie, R. Alan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1347 - o1349
• a: 8.2741 ± 0.0002 Å
• b: 13.1807 ± 0.0005 Å
• c: 5.7182 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 623.62 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes