Information card for entry 2212258

Structure parameters

• Chemical name: 3-(3-Bromophenyl)-1-(2-naphthyl)prop-2-en-1-one
• Formula: C19 H13 Br O
• Calculated formula: C19 H13 Br O
• SMILES: Brc1cc(ccc1)/C=C/C(=O)c1ccc2ccccc2c1
• Title of publication: 3-(3-Bromophenyl)-1-(2-naphthyl)prop-2-en-1-one
• Authors of publication: S. Sathiya Moorthi; K. Chinnakali; S. Nanjundan; S. Radhakrishnanan; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o692 - o694
• a: 5.8213 ± 0.0001 Å
• b: 7.3549 ± 0.0001 Å
• c: 16.7023 ± 0.0003 Å
• α: 88.199 ± 0.001°
• β: 84.947 ± 0.001°
• γ: 89.454 ± 0.001°
• Cell volume: 711.96 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0438
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes