Information card for entry 2218131

Structure parameters

• Chemical name: 2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1-<i>m</i>-toluoylethyl 2,4-dichlorobenzoate
• Formula: C23 H17 Cl2 N3 O3
• Calculated formula: C23 H17 Cl2 N3 O3
• SMILES: Clc1c(C(=O)OC(C(=O)c2cc(ccc2)C)Cn2nnc3c2cccc3)ccc(Cl)c1
• Title of publication: 2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1-<i>m</i>-toluoylethyl 2,4-dichlorobenzoate
• Authors of publication: Zeng, Wu-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o941
• a: 9.3395 ± 0.0019 Å
• b: 9.3065 ± 0.0019 Å
• c: 23.538 ± 0.005 Å
• α: 90°
• β: 92.1 ± 0.03°
• γ: 90°
• Cell volume: 2044.5 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes