Information card for entry 2238918

Structure parameters

• Chemical name: Ethyl 6-methyl-8-phenyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate
• Formula: C16 H15 N3 O2
• Calculated formula: C16 H15 N3 O2
• SMILES: CCOC(=O)c1c(C)cn2c(c1c1ccccc1)ncn2
• Title of publication: Ethyl 6-methyl-8-phenyl-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: o1812
• a: 13.401 ± 0.003 Å
• b: 7.4825 ± 0.0019 Å
• c: 15.068 ± 0.004 Å
• α: 90°
• β: 98.986 ± 0.004°
• γ: 90°
• Cell volume: 1492.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No