Information card for entry 2231936

Structure parameters

• Common name: dichlatazol
• Chemical name: {4-[(2,4-Dichlorobenzoyloxy)methyl]-1-phenyl-1<i>H</i>- 1,2,3-triazol-5-yl}methyl 2,4-dichlorobenzoate
• Formula: C24 H15 Cl4 N3 O4
• Calculated formula: C24 H15 Cl4 N3 O4
• SMILES: Clc1ccc(C(=O)OCc2n(nnc2COC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)c(Cl)c1
• Title of publication: {4-[(2,4-Dichlorobenzoyloxy)methyl]-1-phenyl-1<i>H</i>-1,2,3-triazol-5-yl}methyl 2,4-dichlorobenzoate
• Authors of publication: Ismatov, Dilmurot; Azizov, Umarkhon; Talipov, Samat; Ashurov, Jamshid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2590
• a: 8.908 ± 0.005 Å
• b: 19.567 ± 0.005 Å
• c: 13.908 ± 0.005 Å
• α: 90°
• β: 104.01 ± 0.005°
• γ: 90°
• Cell volume: 2352.1 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes