Information card for entry 2008593

Structure parameters

• Chemical name: p-Methoxybenzaldehyde Isonicotinoyl Hydrazone Monohydrate
• Formula: C14 H15 N3 O3
• Calculated formula: C14 H15 N3 O3
• SMILES: N(NC(=O)c1ccncc1)=Cc1ccc(OC)cc1.O
• Title of publication: <i>p</i>-Methoxybenzaldehyde isonicotinoylhydrazone monohydrate
• Authors of publication: S.Shanmuga Sundara Raj; Hoong-Kun Fun; Zhong-Lin Lu; Wen Xiao; Ye-Xiang Tong; Bei-Sheng Kang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 942 - 944
• a: 7.3875 ± 0.0002 Å
• b: 12.4718 ± 0.0003 Å
• c: 14.8382 ± 0.0004 Å
• α: 90°
• β: 96.727 ± 0.001°
• γ: 90°
• Cell volume: 1357.71 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes