Information card for entry 1544230

Structure parameters

• Chemical name: (<i>E</i>)-4-Methoxy-<i>N</i>'-(2,3,4-trimethoxybenzylidene)benzohydrazide monohydrate
• Formula: C18 H22 N2 O6
• Calculated formula: C18 H22 N2 O6
• SMILES: COc1ccc(cc1)C(=O)N/N=C/c1c(c(c(cc1)OC)OC)OC.O
• Title of publication: (<i>E</i>)-4-Methoxy-<i>N</i>'-(2,3,4-trimethoxybenzylidene)benzohydrazide monohydrate
• Authors of publication: Veeramanikandan, S.; Sherine, H. Benita; Gunasekaran, B.; Chakkaravarthi, G.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161526
• a: 16.109 ± 0.0009 Å
• b: 11.2205 ± 0.0005 Å
• c: 10.7515 ± 0.0005 Å
• α: 90°
• β: 104.888 ± 0.002°
• γ: 90°
• Cell volume: 1878.11 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1157
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes