Information card for entry 2213162

Structure parameters

• Chemical name: 2'-(2-Hydroxy-4-methoxybenzylidene)nicotinohydrazide monohydrate
• Formula: C14 H15 N3 O4
• Calculated formula: C14 H15 N3 O4
• SMILES: O(C)c1ccc(c(O)c1)/C=N/NC(=O)c1cccnc1.O
• Title of publication: 2'-(2-Hydroxy-4-methoxybenzylidene)nicotinohydrazide monohydrate
• Authors of publication: Nancy Mathew; Mini Kuriakose; Seena, E. B.; Prathapachandra Kurup, M. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2190 - o2191
• a: 6.452 ± 0.002 Å
• b: 7.884 ± 0.003 Å
• c: 14.128 ± 0.004 Å
• α: 80.11 ± 0.03°
• β: 77.24 ± 0.03°
• γ: 75.9 ± 0.03°
• Cell volume: 674.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes