Information card for entry 2238849

Structure parameters

• Chemical name: Ethyl 8-(2,4-dichlorophenyl)-6-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate
• Formula: C16 H13 Cl2 N3 O2
• Calculated formula: C16 H13 Cl2 N3 O2
• SMILES: CCOC(=O)c1c(C)cn2c(c1c1ccc(cc1Cl)Cl)ncn2
• Title of publication: Ethyl 8-(2,4-dichlorophenyl)-6-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate
• Authors of publication: Li, Yang; Sun, Chen; Zhang, Ran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1796
• a: 14.693 ± 0.002 Å
• b: 13.531 ± 0.002 Å
• c: 16.347 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3250 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No