Information card for entry 2211260

Structure parameters

• Chemical name: (E)-2-Methoxy-N'-[4-(4-Nitrobenzyloxy)-3-methoxybenzylidene]benzohydrazide monohydrate
• Formula: C23 H23 N3 O7
• Calculated formula: C23 H23 N3 O7
• SMILES: O=N(=O)c1ccc(cc1)COc1ccc(cc1OC)/C=N/NC(=O)c1ccccc1OC.O
• Title of publication: (<i>E</i>)-2-Methoxy-<i>N</i>'-[3-methoxy-4-(4-nitrobenzyloxy)benzylidene]benzohydrazide monohydrate
• Authors of publication: Diao, Chun-Hua; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5497 - o5498
• a: 37.27 ± 0.006 Å
• b: 8.5936 ± 0.0013 Å
• c: 14.431 ± 0.002 Å
• α: 90°
• β: 108.436 ± 0.005°
• γ: 90°
• Cell volume: 4384.8 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes