Information card for entry 2239069

Structure parameters

• Chemical name: Ethyl 6-(4-cyclopropyl-1<i>H</i>-1,2,3-triazol-1-yl)pyridine-3-carboxylate
• Formula: C13 H14 N4 O2
• Calculated formula: C13 H14 N4 O2
• SMILES: CCOC(=O)c1ccc(nc1)n1nnc(c1)C1CC1
• Title of publication: Ethyl 6-(4-cyclopropyl-1<i>H</i>-1,2,3-triazol-1-yl)pyridine-3-carboxylate
• Authors of publication: Ahmed, Muhammad Naeem; Yasin, Khawaja Ansar; Tahir, M. Nawaz; Bibi, Asma; Andleeb, Hina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o136
• a: 7.1565 ± 0.0006 Å
• b: 9.3521 ± 0.0008 Å
• c: 9.8747 ± 0.0009 Å
• α: 85.722 ± 0.004°
• β: 81.422 ± 0.004°
• γ: 86.941 ± 0.004°
• Cell volume: 651.09 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes