Information card for entry 1543985

Structure parameters

• Chemical name: <i>N</i>'-[(1<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate
• Formula: C14 H15 N3 O4
• Calculated formula: C14 H15 N3 O4
• SMILES: O(C)c1cc(ccc1O)/C=N/NC(=O)c1ccncc1.O
• Title of publication: <i>N</i>'-[(1<i>E</i>)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate
• Authors of publication: Roopashree, K. R.; Inturi, Bharathkumar; Pujar, Gurubasavaraj V.; Prem Kumar, S. R.; Devarajegowda, H. C.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161300
• a: 8.3687 ± 0.0007 Å
• b: 13.0913 ± 0.001 Å
• c: 12.6778 ± 0.0011 Å
• α: 90°
• β: 99.086 ± 0.005°
• γ: 90°
• Cell volume: 1371.5 ± 0.2 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: 0.0539
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes