Information card for entry 2239661

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(3,4-Dimethoxybenzylidene)nicotinohydrazide monohydrate
• Formula: C15 H17 N3 O4
• Calculated formula: C15 H17 N3 O4
• SMILES: COc1c(cc(/C=N/NC(=O)c2cnccc2)cc1)OC.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(3,4-Dimethoxybenzylidene)nicotinohydrazide monohydrate
• Authors of publication: Novina, J. Josephine; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o793 - o794
• a: 4.9128 ± 0.0006 Å
• b: 25.137 ± 0.004 Å
• c: 12.295 ± 0.0016 Å
• α: 90°
• β: 96.513 ± 0.004°
• γ: 90°
• Cell volume: 1508.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes