Information card for entry 2215654

Structure parameters

• Chemical name: 2'-(4-methoxybenzylidene)isonicotinohydrazide monohydrate
• Formula: C14 H15 N3 O3
• Calculated formula: C14 H15 N3 O3
• SMILES: n1ccc(cc1)C(=O)NN=Cc1ccc(OC)cc1.O
• Title of publication: A new polymorph of 2'-(4-methoxybenzylidene)isonicotinohydrazide monohydrate
• Authors of publication: Lin, Min; Liu, Shi-Xiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3974 - o3974
• a: 7.415 ± 0.005 Å
• b: 12.621 ± 0.008 Å
• c: 14.4387 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1351.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes