Information card for entry 2225883

Structure parameters

• Chemical name: (1<i>H</i>-1,2,4-Triazol-1-yl)methyl 2-(2,4-dichlorophenoxy)acetate
• Formula: C11 H9 Cl2 N3 O3
• Calculated formula: C11 H9 Cl2 N3 O3
• SMILES: Clc1ccc(c(Cl)c1)OCC(=O)OCn1ncnc1
• Title of publication: (1<i>H</i>-1,2,4-Triazol-1-yl)methyl 2-(2,4-dichlorophenoxy)acetate
• Authors of publication: Xie, Yun-Man; Li, Yu-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1122
• a: 10.814 ± 0.002 Å
• b: 6.4514 ± 0.0013 Å
• c: 18.698 ± 0.004 Å
• α: 90°
• β: 101.05 ± 0.03°
• γ: 90°
• Cell volume: 1280.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes