Information card for entry 2239041

Structure parameters

• Chemical name: (<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trimethoxybenzylidene)benzohydrazide hemihydrate
• Formula: C18 H21 N2 O5.5
• Calculated formula: C18 H21 N2 O5.5
• SMILES: COc1ccc(cc1)C(=O)N/N=C/c1cc(OC)c(cc1OC)OC.O
• Title of publication: (<i>E</i>)-4-Methoxy-<i>N</i>'-(2,4,5-trimethoxybenzylidene)benzohydrazide hemihydrate
• Authors of publication: Chantrapromma, Suchada; Boonnak, Nawong; Horkaew, Jirapa; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o150 - o151
• a: 13.4405 ± 0.0003 Å
• b: 16.9172 ± 0.0003 Å
• c: 7.6841 ± 0.0002 Å
• α: 90°
• β: 96.084 ± 0.001°
• γ: 90°
• Cell volume: 1737.34 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1035
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes