Information card for entry 2233154

Structure parameters

• Common name: Methyl 6-chloronicotinate
• Chemical name: methyl 6-chloropyridine-3-carboxylate
• Formula: C7 H6 Cl N O2
• Calculated formula: C7 H6 Cl N O2
• SMILES: COC(=O)c1ccc(nc1)Cl
• Title of publication: Methyl 6-chloronicotinate
• Authors of publication: Xu, Yong; Yang, Ling-Ling; Yang, Sheng-Yong; Liu, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o162
• a: 3.8721 ± 0.0004 Å
• b: 5.8068 ± 0.0006 Å
• c: 17.3721 ± 0.0018 Å
• α: 95.563 ± 0.009°
• β: 94.918 ± 0.008°
• γ: 104.657 ± 0.009°
• Cell volume: 373.64 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1131
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes