Information card for entry 2221910

Structure parameters

• Chemical name: 1-(2,4-Dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enone
• Formula: C17 H15 Cl2 N O
• Calculated formula: C17 H15 Cl2 N O
• SMILES: Clc1cc(Cl)c(C(=O)/C=C/c2ccc(N(C)C)cc2)cc1
• Title of publication: 1-(2,4-Dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enone
• Authors of publication: Bappalige, Navin N.; Brinda, S.; Narayana, Y.; Upadyaya, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1266
• a: 8.5741 ± 0.0019 Å
• b: 12.706 ± 0.003 Å
• c: 14.671 ± 0.003 Å
• α: 90°
• β: 102.645 ± 0.004°
• γ: 90°
• Cell volume: 1559.5 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes