Information card for entry 2219722

Structure parameters

• Chemical name: (E)-N'-(2-Hydroxy-4-methoxybenzylidene)isonicotinohydrazide monohydrate
• Formula: C14 H15 N3 O4
• Calculated formula: C14 H15 N3 O4
• SMILES: Oc1c(ccc(OC)c1)/C=N/NC(=O)c1ccncc1.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(2-Hydroxy-4-methoxybenzylidene)isonicotinohydrazide monohydrate
• Authors of publication: Peng, San-Jun; Hou, Hai-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1996 - o1997
• a: 7.299 ± 0.004 Å
• b: 12.537 ± 0.006 Å
• c: 14.808 ± 0.007 Å
• α: 90°
• β: 96.281 ± 0.008°
• γ: 90°
• Cell volume: 1346.9 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0697
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes