Information card for entry 2233593

Structure parameters

• Chemical name: 4-[(<i>E</i>)-(3-Chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenyl acetate
• Formula: C17 H15 Cl N2 O5
• Calculated formula: C17 H15 Cl N2 O5
• SMILES: Clc1cc(/N=C/c2c(N(=O)=O)c(OC)c(OC(=O)C)cc2)ccc1C
• Title of publication: 4-[(<i>E</i>)-(3-Chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenyl acetate
• Authors of publication: Su, Deng-Cheng; Wang, Feng-Ting; Mao, Cheng-Gong; Qian, Shao-Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o303
• a: 7.035 ± 0.006 Å
• b: 7.672 ± 0.006 Å
• c: 17.272 ± 0.014 Å
• α: 83.477 ± 0.008°
• β: 84.994 ± 0.008°
• γ: 66.697 ± 0.007°
• Cell volume: 849.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes