Information card for entry 8106752

Structure parameters

• Formula: C11 H12 N4 O2
• Calculated formula: C11 H12 N4 O2
• Title of publication: Crystal structure of ethyl 5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate, C11H12N4O2
• Authors of publication: Brito, Iván; Kesternich, Victor; Pérez-Fehrmann, Marcia; Araneda, Catherine; Cárdenas, Alejandro
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 1011 - 1012
• a: 12.0258 ± 0.0015 Å
• b: 8.0563 ± 0.001 Å
• c: 12.4478 ± 0.0013 Å
• α: 90°
• β: 104.157 ± 0.004°
• γ: 90°
• Cell volume: 1169.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0889
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No