Information card for entry 2206984

Structure parameters

• Chemical name: 2'-(4-Methoxybenzylidene)isonicotinohydrazide monohydrate
• Formula: C14 H15 N3 O3
• Calculated formula: C14 H15 N3 O3
• SMILES: O=C(NN=Cc1ccc(OC)cc1)c1ccncc1.O
• Title of publication: 2'-(4-Methoxybenzylidene)isonicotinohydrazide monohydrate
• Authors of publication: Zuo-Liang Jing; Zhi Fan; Ming Yu; Xin Chen; Qi-Liang Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3208 - o3209
• a: 7.366 ± 0.0015 Å
• b: 12.422 ± 0.003 Å
• c: 14.785 ± 0.003 Å
• α: 90°
• β: 96.699 ± 0.002°
• γ: 90°
• Cell volume: 1343.6 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes