Information card for entry 2226342

Structure parameters

• Chemical name: Methyl 1-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate
• Formula: C5 H7 N3 O2
• Calculated formula: C5 H7 N3 O2
• SMILES: O=C(OC)c1nnn(C)c1
• Title of publication: Methyl 1-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate
• Authors of publication: Khan, F. Nawaz; Prabakaran, K.; Roopan, S. Mohana; Hathwar, Venkatesha R.; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1468
• a: 5.697 ± 0.001 Å
• b: 7.1314 ± 0.0011 Å
• c: 8.6825 ± 0.0016 Å
• α: 71.053 ± 0.016°
• β: 86.865 ± 0.015°
• γ: 76.528 ± 0.014°
• Cell volume: 324.37 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes