Information card for entry 2241477

Structure parameters

• Chemical name: (1<i>E</i>,4<i>E</i>)-1,5-Bis(5-bromothiophen-2-yl)-2,4-dimethylpenta-1,4-dien-3-one
• Formula: C15 H12 Br2 O S2
• Calculated formula: C15 H12 Br2 O S2
• SMILES: c1(ccc(/C=C(C(=O)C(=C\c2ccc(s2)Br)\C)\C)s1)Br
• Title of publication: Crystal structures of (1<i>E</i>,4<i>E</i>)-1,5-bis(5-bromothiophen-2-yl)-2,4-dimethylpenta-1,4-dien-3-one and (<i>E</i>)-4-(5-bromothiophen-2-yl)-1,3-diphenylbut-3-en-2-one
• Authors of publication: Nithya, C.; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 199 - 202
• a: 16.564 ± 0.002 Å
• b: 6.3581 ± 0.0007 Å
• c: 15.962 ± 0.002 Å
• α: 90°
• β: 105.239 ± 0.005°
• γ: 90°
• Cell volume: 1621.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes