Information card for entry 2213017

Structure parameters

• Chemical name: (2E)-1-(3-bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
• Formula: C15 H10 Br Cl O
• Calculated formula: C15 H10 Br Cl O
• SMILES: Brc1cc(ccc1)C(=O)/C=C/c1ccc(Cl)cc1
• Title of publication: (2<i>E</i>)-1-(3-Bromophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
• Authors of publication: Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Y. E. Satheesh; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1844 - o1845
• a: 5.9155 ± 0.0002 Å
• b: 7.2642 ± 0.0002 Å
• c: 14.6629 ± 0.0005 Å
• α: 86.452 ± 0.002°
• β: 83.241 ± 0.002°
• γ: 87.863 ± 0.002°
• Cell volume: 624.22 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes