Information card for entry 2235052

Structure parameters

• Chemical name: <i>N</i>'-(3,4-Dichlorobenzylidene)-5-methyl-1-(4-nitrophenyl)-1<i>H</i>- 1,2,3-triazole-4-carbohydrazide
• Formula: C17 H12 Cl2 N6 O3
• Calculated formula: C17 H12 Cl2 N6 O3
• SMILES: Clc1ccc(C=NNC(=O)c2nnn(c3ccc(N(=O)=O)cc3)c2C)cc1Cl
• Title of publication: <i>N</i>'-(3,4-Dichlorobenzylidene)-5-methyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazole-4-carbohydrazide
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; Nithinchandra; Kalluraya, Balakrishna; Vidyashree, J. H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1902
• a: 6.6309 ± 0.0003 Å
• b: 22.7059 ± 0.001 Å
• c: 13.3019 ± 0.0005 Å
• α: 90°
• β: 119.559 ± 0.002°
• γ: 90°
• Cell volume: 1742.08 ± 0.13 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0452
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes