Information card for entry 2224791

Structure parameters

• Chemical name: (2<i>E</i>)-1-(3-Chlorophenyl)-3-phenylprop-2-en-1-one
• Formula: C15 H11 Cl O
• Calculated formula: C15 H11 Cl O
• SMILES: Clc1cc(ccc1)C(=O)/C=C/c1ccccc1
• Title of publication: (2<i>E</i>)-1-(3-Chlorophenyl)-3-phenylprop-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: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o157
• a: 5.8388 ± 0.0007 Å
• b: 7.5975 ± 0.0011 Å
• c: 13.13 ± 0.0016 Å
• α: 83.182 ± 0.011°
• β: 89.422 ± 0.01°
• γ: 86.662 ± 0.011°
• Cell volume: 577.35 ± 0.13 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: 0.038
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes