Information card for entry 2215953

Structure parameters

• Chemical name: (E)-N'-[4-(2,4-Dichlorobenzyloxy)-3-methoxybenzylidene]-2-methoxybenzohydrazide sesquihydrate
• Formula: C23 H23 Cl2 N2 O5.5
• Calculated formula: C23 H23 Cl2 N2 O5.5
• SMILES: COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc(cc1Cl)Cl.O.O
• Title of publication: (<i>E</i>)-<i>N</i>'-[4-(2,4-Dichlorobenzyloxy)-3-methoxybenzylidene]-2-methoxybenzohydrazide sesquihydrate
• Authors of publication: Liu, Shou-Xin; Tian, Xia; Zhen, Xiao-Li; Li, Zhen-Chao; Han, Jian-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4396 - o4396
• a: 7.7689 ± 0.0016 Å
• b: 8.339 ± 0.0017 Å
• c: 18.345 ± 0.004 Å
• α: 80.93 ± 0.03°
• β: 77.85 ± 0.03°
• γ: 86.5 ± 0.03°
• Cell volume: 1146.9 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0846
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes