Information card for entry 2209340

Structure parameters

• Chemical name: (E)-N'-(2-Methoxybenzylidene)isonicotinohydrazide dihydrate
• Formula: C14 H17 N3 O4
• Calculated formula: C14 H17 N3 O4
• SMILES: O=C(N/N=C/c1c(OC)cccc1)c1ccncc1.O.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(2-Methoxybenzylidene)isonicotinohydrazide dihydrate
• Authors of publication: Qiu, Xiao-Yang; Xu, Hua-Jie; Liu, Wei-Sheng; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2304 - o2305
• a: 7.5279 ± 0.0005 Å
• b: 9.6929 ± 0.0006 Å
• c: 10.398 ± 0.0007 Å
• α: 92.308 ± 0.003°
• β: 100.34 ± 0.003°
• γ: 107.928 ± 0.002°
• Cell volume: 706.44 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes