Information card for entry 2230949

Structure parameters

• Chemical name: (2<i>E</i>)-1-(4-Aminophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
• Formula: C15 H11 Cl2 N O
• Calculated formula: C15 H11 Cl2 N O
• SMILES: c1cc(cc(c1/C=C/C(=O)c1ccc(cc1)N)Cl)Cl
• Title of publication: (2<i>E</i>)-1-(4-Aminophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
• Authors of publication: Singh, Shailja; Singh, Manavendra K.; Agarwal, Alka; Hussain, Firasat; Awasthi, Satish K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1616 - o1617
• a: 22.771 ± 0.002 Å
• b: 3.9889 ± 0.0005 Å
• c: 14.7848 ± 0.0018 Å
• α: 90°
• β: 92.401 ± 0.012°
• γ: 90°
• Cell volume: 1341.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes