Information card for entry 2238254

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)pyridine-3-carbohydrazide dihydrate
• Formula: C14 H17 N3 O4
• Calculated formula: C14 H17 N3 O4
• SMILES: COc1ccc(cc1)/C=N/NC(=O)c1cccnc1.O.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)pyridine-3-carbohydrazide dihydrate
• Authors of publication: Novina, J. Josephine; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1177 - o1178
• a: 7.6534 ± 0.0006 Å
• b: 16.3503 ± 0.0011 Å
• c: 11.4887 ± 0.0006 Å
• α: 90°
• β: 96.889 ± 0.002°
• γ: 90°
• Cell volume: 1427.26 ± 0.17 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: 0.0844
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes