Information card for entry 2211427

Structure parameters

• Chemical name: (E)-2-Methoxy-N'-[(3-methoxy-4-benzoyloxy)benzylidene]benzohydrazide monohydrate
• Formula: C23 H22 N2 O6
• Calculated formula: C23 H22 N2 O6
• SMILES: O=C(Oc1ccc(cc1OC)/C=N/NC(=O)c1ccccc1OC)c1ccccc1.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Benzoyloxy-3-methoxybenzylidene)-2-methoxybenzohydrazide monohydrate
• Authors of publication: Han, Jian-Rong; Wang, Xiao-Feng; Zhen, Xiao-Li; Tian, Xia; Liu, Shou-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5572 - o5573
• a: 7.9685 ± 0.0015 Å
• b: 18.584 ± 0.003 Å
• c: 14.205 ± 0.003 Å
• α: 90°
• β: 91.045 ± 0.004°
• γ: 90°
• Cell volume: 2103.2 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.1391
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes