Information card for entry 2228641

Structure parameters

• Chemical name: 3-[(<i>E</i>)-(2,4-Dichloropbenzylidene)amino]benzoic acid
• Formula: C14 H9 Cl2 N O2
• Calculated formula: C14 H9 Cl2 N O2
• SMILES: Clc1c(/C=N/c2cccc(C(=O)O)c2)ccc(Cl)c1
• Title of publication: 3-[(<i>E</i>)-(2,4-Dichloropbenzylidene)amino]benzoic acid
• Authors of publication: Akmal, Muhammad; Siddiqui, Waseeq Ahmad; Tahir, M. Nawaz; Ashraf, Adnan; Nosheen, Farhat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o157
• a: 7.4065 ± 0.0002 Å
• b: 7.6176 ± 0.0003 Å
• c: 11.533 ± 0.0004 Å
• α: 86.946 ± 0.002°
• β: 80.433 ± 0.001°
• γ: 85.833 ± 0.002°
• Cell volume: 639.38 ± 0.04 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: 0.0357
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes