Information card for entry 2221092

Structure parameters

• Chemical name: <i>N</i>'-(2-Chloro-5-nitrobenzylidene)isonicotinohydrazide
• Formula: C13 H9 Cl N4 O3
• Calculated formula: C13 H9 Cl N4 O3
• SMILES: Clc1c(cc(N(=O)=O)cc1)C=NNC(=O)c1ccncc1
• Title of publication: <i>N</i>'-(2-Chloro-5-nitrobenzylidene)isonicotinohydrazide
• Authors of publication: Zhi, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o623
• a: 18.586 ± 0.003 Å
• b: 18.586 ± 0.003 Å
• c: 15.183 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5244.8 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes