Information card for entry 2216328

Structure parameters

• Chemical name: N'-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide methanol solvate
• Formula: C15 H17 N3 O4
• Calculated formula: C15 H17 N3 O4
• SMILES: Oc1c(OC)cc(cc1)C=NNC(=O)c1ccncc1.OC
• Title of publication: <i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide methanol solvate
• Authors of publication: Xia Liu; Xue-Fang Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4807 - o4807
• a: 13.2742 ± 0.0012 Å
• b: 6.3787 ± 0.0007 Å
• c: 17.5375 ± 0.0016 Å
• α: 90°
• β: 105.151 ± 0.006°
• γ: 90°
• Cell volume: 1433.3 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes