Information card for entry 2231050

Structure parameters

• Chemical name: (<i>E</i>)-Methyl <i>N</i>'-(2,4,5-trimethoxybenzylidene)hydrazinecarboxylate
• Formula: C12 H16 N2 O5
• Calculated formula: C12 H16 N2 O5
• SMILES: COc1c(cc(c(c1)OC)/C=N/NC(=O)OC)OC
• Title of publication: (<i>E</i>)-Methyl <i>N</i>'-(2,4,5-trimethoxybenzylidene)hydrazinecarboxylate
• Authors of publication: Lv, Lu-Ping; Yu, Tie-Ming; Yu, Wen-Bo; Hu, Xian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2023
• a: 9.9897 ± 0.0015 Å
• b: 17.606 ± 0.003 Å
• c: 8.0801 ± 0.0012 Å
• α: 90°
• β: 111.806 ± 0.004°
• γ: 90°
• Cell volume: 1319.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes