Information card for entry 2226468

Structure parameters

• Chemical name: Ethyl 3-(4-methylbenzylidene)carbazate
• Formula: C11 H14 N2 O2
• Calculated formula: C11 H14 N2 O2
• SMILES: CCOC(=O)N/N=C/c1ccc(cc1)C
• Title of publication: Ethyl 3-(4-methylbenzylidene)carbazate
• Authors of publication: Li, Yu-Feng; Sheng, Wen-Hai; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1565
• a: 15.251 ± 0.003 Å
• b: 8.2853 ± 0.0017 Å
• c: 18.139 ± 0.004 Å
• α: 90°
• β: 101.85 ± 0.03°
• γ: 90°
• Cell volume: 2243.2 ± 0.8 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: 0.0668
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes