Information card for entry 8103166

Structure parameters

• Chemical name: N'-(2,6-dichlorobenzylidene)-4-nitrobenzohydrazide
• Formula: C14 H9 Cl2 N3 O3
• Calculated formula: C14 H9 Cl2 N3 O3
• SMILES: Clc1c(/C=N/NC(=O)c2ccc(N(=O)=O)cc2)c(Cl)ccc1
• Title of publication: Crystal structure of N'-(2,6-dichlorobenzylidene)-4-nitrobenzohydrazide, C14H9Cl2N3O3
• Authors of publication: Zhi-Gang Yin; Quan-Ling Wang; Heng-Yu Qian; Chun-Xia Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 381
• a: 10.9601 ± 0.0016 Å
• b: 14.2234 ± 0.0017 Å
• c: 9.1485 ± 0.0012 Å
• α: 90°
• β: 92.924 ± 0.012°
• γ: 90°
• Cell volume: 1424.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No