Information card for entry 2215234

Structure parameters

• Chemical name: (2E)-3-(Biphenyl-4-yl)-1-(3-bromo-2-thienyl)prop-2-en-1-one
• Formula: C19 H13 Br O S
• Calculated formula: C19 H13 Br O S
• SMILES: c1cc(c(C(=O)/C=C/c2ccc(cc2)c2ccccc2)s1)Br
• Title of publication: (2<i>E</i>)-3-(Biphenyl-4-yl)-1-(3-bromo-2-thienyl)prop-2-en-1-one
• Authors of publication: Harrison, William T. A.; Ashalatha, B. V.; Narayana, B.; Sarojini, B. K.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3898 - o3898
• a: 8.8345 ± 0.0005 Å
• b: 11.7429 ± 0.0006 Å
• c: 15.2162 ± 0.0008 Å
• α: 90°
• β: 92.817 ± 0.001°
• γ: 90°
• Cell volume: 1576.66 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes