Information card for entry 2213261

Structure parameters

• Chemical name: Methyl (2E)-2-(4-chlorobenzylidene)hydrazinecarboxylate
• Formula: C9 H9 Cl N2 O2
• Calculated formula: C9 H9 Cl N2 O2
• SMILES: Clc1ccc(cc1)/C=N/NC(=O)OC
• Title of publication: Methyl (2<i>E</i>)-2-(4-chlorobenzylidene)hydrazinecarboxylate
• Authors of publication: Yue Meng; Wei-Xiao Hu; Feng Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2395 - o2396
• a: 13.492 ± 0.002 Å
• b: 9.5342 ± 0.0014 Å
• c: 15.527 ± 0.002 Å
• α: 90°
• β: 94.8 ± 0.002°
• γ: 90°
• Cell volume: 1990.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes