Information card for entry 2228331

Structure parameters

• Chemical name: 2-(2-Chloropyridin-3-yl)-<i>N</i>-ethyl-4-methyl-1,3-oxazole-5-carboxamide
• Formula: C12 H12 Cl N3 O2
• Calculated formula: C12 H12 Cl N3 O2
• SMILES: Clc1ncccc1c1oc(c(n1)C)C(=O)NCC
• Title of publication: 2-(2-Chloropyridin-3-yl)-<i>N</i>-ethyl-4-methyl-1,3-oxazole-5-carboxamide
• Authors of publication: Yang, Guiqiu; Liang, Jiakuang; Yu, Haibo; Li, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3154
• a: 8.2143 ± 0.0012 Å
• b: 14.545 ± 0.002 Å
• c: 10.436 ± 0.0016 Å
• α: 90°
• β: 97.425 ± 0.003°
• γ: 90°
• Cell volume: 1236.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes