Information card for entry 2230595

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2-Chloro-5-nitrobenzylidene)-3-methoxybenzohydrazide monohydrate
• Formula: C15 H14 Cl N3 O5
• Calculated formula: C15 H14 Cl N3 O5
• SMILES: Clc1c(cc(N(=O)=O)cc1)/C=N/NC(=O)c1cc(OC)ccc1.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(2-Chloro-5-nitrobenzylidene)-3-methoxybenzohydrazide monohydrate
• Authors of publication: Liu, Shi-Yong; Wang, Xiao-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1625
• a: 7.176 ± 0.002 Å
• b: 7.179 ± 0.002 Å
• c: 15.395 ± 0.004 Å
• α: 83.82 ± 0.018°
• β: 89.953 ± 0.018°
• γ: 80.19 ± 0.018°
• Cell volume: 776.8 ± 0.4 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: 0.1033
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes