Information card for entry 2212475

Structure parameters

• Chemical name: N'-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydazide monohydrate
• Formula: C14 H15 N3 O4
• Calculated formula: C14 H15 N3 O4
• SMILES: O=C(NN=Cc1cc(OC)c(O)cc1)c1ccncc1.O
• Title of publication: <i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide monohydrate
• Authors of publication: Xue-Fang Shi; Lei He; Guo-Zhun Ma; Cui-Cui Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1119 - o1120
• a: 13.343 ± 0.003 Å
• b: 6.5277 ± 0.0013 Å
• c: 16.005 ± 0.003 Å
• α: 90°
• β: 98.42 ± 0.004°
• γ: 90°
• Cell volume: 1379 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes