Information card for entry 2208757

Structure parameters

• Common name: 3-(4-bromophenyl)-1-(4-nitrophenyl)propenone
• Chemical name: 3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• Formula: C15 H10 Br N O3
• Calculated formula: C15 H10 Br N O3
• SMILES: Brc1ccc(cc1)/C=C/C(=O)c1ccc(N(=O)=O)cc1
• Title of publication: 3-(4-Bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• Authors of publication: Rosli, Mohd Mustaqim; Patil, P. S.; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1466 - o1468
• a: 5.9341 ± 0.0001 Å
• b: 7.9193 ± 0.0001 Å
• c: 27.2996 ± 0.0004 Å
• α: 89.938 ± 0.001°
• β: 85.622 ± 0.001°
• γ: 82.357 ± 0.001°
• Cell volume: 1267.75 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes