Information card for entry 2226906

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-2-Chloro-5-nitrobenzylidene]-2-nitrobenzohydrazide
• Formula: C14 H9 Cl N4 O5
• Calculated formula: C14 H9 Cl N4 O5
• SMILES: Clc1c(cc(N(=O)=O)cc1)/C=N/NC(=O)c1c(N(=O)=O)cccc1
• Title of publication: <i>N</i>'-[(<i>E</i>)-2-Chloro-5-nitrobenzylidene]-2-nitrobenzohydrazide
• Authors of publication: Liu, Huanyu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2026
• a: 7.432 ± 0.003 Å
• b: 9.296 ± 0.004 Å
• c: 12.404 ± 0.005 Å
• α: 77.621 ± 0.005°
• β: 87.674 ± 0.006°
• γ: 76.271 ± 0.005°
• Cell volume: 813.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes