Information card for entry 2233826

Structure parameters

• Chemical name: (<i>E</i>)-(2-Chlorobenzylidene)amino 2-amino-4-chlorobenzoate
• Formula: C14 H10 Cl2 N2 O2
• Calculated formula: C14 H10 Cl2 N2 O2
• SMILES: c1(ccccc1/C=N/OC(=O)c1c(cc(cc1)Cl)N)Cl
• Title of publication: (<i>E</i>)-(2-Chlorobenzylidene)amino 2-amino-4-chlorobenzoate
• Authors of publication: Yin, Weiyan; Wang, Zhi; Liang, Ying; Yang, Zi-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o770
• a: 7.4034 ± 0.0005 Å
• b: 23.819 ± 0.0015 Å
• c: 7.6362 ± 0.0005 Å
• α: 90°
• β: 96.382 ± 0.001°
• γ: 90°
• Cell volume: 1338.23 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes