Information card for entry 8106457

Structure parameters

• Formula: C15 H7 Br F6 N2 O S2
• Calculated formula: C15 H7 Br F6 N2 O S2
• Title of publication: Crystal structure of 2-[3,5-bis(trifluoromethyl)benzylsulfanyl]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C15H7BrF6N2OS2
• Authors of publication: Al-Omary, Fatmah A. M.; Alanazi, Fahdah S.; Ghabbour, Hazem A.; El-Emam, Ali A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 131 - 133
• a: 18.8292 ± 0.0014 Å
• b: 11.4568 ± 0.0009 Å
• c: 8.34 ± 0.0006 Å
• α: 90°
• β: 90.791 ± 0.003°
• γ: 90°
• Cell volume: 1799 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1121
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No