Information card for entry 2224102

Structure parameters

• Chemical name: (2<i>E</i>)-1-(3-Chlorophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
• Formula: C15 H10 Cl2 O
• Calculated formula: C15 H10 Cl2 O
• SMILES: Clc1cc(ccc1)C(=O)/C=C/c1ccc(Cl)cc1
• Title of publication: (2<i>E</i>)-1-(3-Chlorophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Narayana, B.; Veena, K.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2641 - o2642
• a: 5.8884 ± 0.0009 Å
• b: 7.3328 ± 0.0009 Å
• c: 14.6752 ± 0.0016 Å
• α: 102.821 ± 0.01°
• β: 95.003 ± 0.01°
• γ: 92.933 ± 0.011°
• Cell volume: 613.88 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes