Information card for entry 2236141

Structure parameters

• Chemical name: (2<i>E</i>)-2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-<i>N</i>-\ phenylhydrazinecarboxamide monohydrate
• Formula: C16 H19 N3 O4
• Calculated formula: C16 H19 N3 O4
• SMILES: O(c1ccc(c(O)c1)C(=N\NC(=O)Nc1ccccc1)\C)C.O
• Title of publication: (2<i>E</i>)-2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-<i>N</i>-phenylhydrazinecarboxamide monohydrate
• Authors of publication: Annie, C. F.; Jacob, Jinsa Mary; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2985 - o2986
• a: 12.402 ± 0.0018 Å
• b: 13.7808 ± 0.0019 Å
• c: 9.3919 ± 0.001 Å
• α: 90°
• β: 96.813 ± 0.007°
• γ: 90°
• Cell volume: 1593.8 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes