Information card for entry 2213569

Structure parameters

• Chemical name: (2E)-1-(3-bromophenyl)-3-phenylprop-2-en-1-one
• Formula: C15 H11 Br O
• Calculated formula: C15 H11 Br O
• SMILES: Brc1cc(C(=O)/C=C/c2ccccc2)ccc1
• Title of publication: (2<i>E</i>)-1-(3-Bromophenyl)-3-phenylprop-2-en-1-one
• Authors of publication: Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2501 - o2501
• a: 5.8253 ± 0.0002 Å
• b: 7.6325 ± 0.0003 Å
• c: 13.3374 ± 0.0004 Å
• α: 83.051 ± 0.002°
• β: 89.919 ± 0.002°
• γ: 87.378 ± 0.002°
• Cell volume: 588.02 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes