Information card for entry 2207213

Structure parameters

• Chemical name: 3-Hydroxy-4-methoxybenzaldehyde isonicotinoylhydrazone monohydrate
• Formula: C14 H15 N3 O4
• Calculated formula: C14 H15 N3 O4
• SMILES: O=C(N\N=C\c1cc(O)c(OC)cc1)c1ccncc1.O
• Title of publication: 3-Hydroxy-4-methoxybenzaldehyde isonicotinoylhydrazone monohydrate
• Authors of publication: Liu, Hui-Min; Zhang, Wen-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3775 - o3777
• a: 9.1684 ± 0.0016 Å
• b: 11.489 ± 0.002 Å
• c: 13.889 ± 0.002 Å
• α: 90°
• β: 93.688 ± 0.003°
• γ: 90°
• Cell volume: 1460 ± 0.4 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: 0.0712
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes