Information card for entry 2228686

Structure parameters

• Chemical name: 2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-<i>N</i>'-(2- chlorobenzylidene)acetohydrazide
• Formula: C15 H12 Cl N5 O
• Calculated formula: C15 H12 Cl N5 O
• SMILES: Clc1c(/C=N/NC(=O)Cn2nnc3c2cccc3)cccc1
• Title of publication: 2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-<i>N</i>'-(2-chlorobenzylidene)acetohydrazide
• Authors of publication: He, Guo-Fang; Shi, Zhi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o48
• a: 4.6777 ± 0.0016 Å
• b: 11.726 ± 0.004 Å
• c: 13.328 ± 0.005 Å
• α: 90°
• β: 94.224 ± 0.007°
• γ: 90°
• Cell volume: 729.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes