Information card for entry 2219826

Structure parameters

• Chemical name: (E)-Ethyl N'-(3,4-dimethoxybenzylidene)hydrazinecarboxylate monohydrate
• Formula: C12 H18 N2 O5
• Calculated formula: C12 H18 N2 O5
• SMILES: COc1c(cc(cc1)/C=N/NC(=O)OCC)OC.O
• Title of publication: (<i>E</i>)-Ethyl <i>N</i>'-(3,4-dimethoxybenzylidene)hydrazinecarboxylate monohydrate
• Authors of publication: Lv, Lu-Ping; Zhang, Yong-Zhao; Ding, Xiao-Min; Li, Wei-Wei; Hu, Xian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2196
• a: 7.211 ± 0.002 Å
• b: 17.688 ± 0.005 Å
• c: 11.026 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1406.3 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes