Information card for entry 2218188

Structure parameters

• Chemical name: 2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1-(4-ethylbenzoyl)ethyl 2,4-dichlorobenzoate
• Formula: C24 H19 Cl2 N3 O3
• Calculated formula: C24 H19 Cl2 N3 O3
• SMILES: Clc1cc(Cl)c(cc1)C(=O)OC(Cn1nnc2c1cccc2)C(=O)c1ccc(cc1)CC
• Title of publication: 2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1-(4-ethylbenzoyl)ethyl 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: o942
• a: 9.251 ± 0.003 Å
• b: 10.904 ± 0.004 Å
• c: 11.057 ± 0.004 Å
• α: 88.327 ± 0.006°
• β: 86.442 ± 0.006°
• γ: 83.304 ± 0.005°
• Cell volume: 1105.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes