Information card for entry 2241165

Structure parameters

• Chemical name: 1-Methoxy-5-methyl-<i>N</i>-phenyl-triazole-4-carboxamide
• Formula: C11 H12 N4 O2
• Calculated formula: C11 H12 N4 O2
• SMILES: O=C(c1nnn(c1C)OC)Nc1ccccc1
• Title of publication: Crystal structure of 1-methoxy-5-methyl-<i>N</i>-phenyl-1.2.3-triazole-4-carboxamide
• Authors of publication: Khazhieva, Inna S.; Glukhareva, Tatiana V.; Slepukhin, Pavel A.; Morzherin, Yury Yu.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o798
• a: 11.4637 ± 0.0008 Å
• b: 6.4345 ± 0.0013 Å
• c: 15.822 ± 0.003 Å
• α: 90°
• β: 100.367 ± 0.012°
• γ: 90°
• Cell volume: 1148 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1296
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes