Information card for entry 2228896

Structure parameters

• Chemical name: Ethyl 2-(1<i>H</i>-1,2,3-benzotriazol-1-yl)acetate
• Formula: C10 H11 N3 O2
• Calculated formula: C10 H11 N3 O2
• SMILES: c12ccccc1nnn2CC(=O)OCC
• Title of publication: Ethyl 2-(1<i>H</i>-1,2,3-benzotriazol-1-yl)acetate
• Authors of publication: Li, Xiao-Xia; Chen, Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o140
• a: 20.6734 ± 0.0009 Å
• b: 11.9284 ± 0.0005 Å
• c: 9.342 ± 0.0004 Å
• α: 90°
• β: 111.77 ± 0.003°
• γ: 90°
• Cell volume: 2139.44 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes