Information card for entry 2227328

Structure parameters

• Chemical name: 1-(3-Bromo-2-thienyl)ethanone
• Formula: C6 H5 Br O S
• Calculated formula: C6 H5 Br O S
• Title of publication: 1-(3-Bromo-2-thienyl)ethanone
• Authors of publication: Mahendra, M.; Vivek, H. K.; Gaonkar, S. L.; Priya, B. S.; Nanjunda Swamy, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2540
• a: 6.8263 ± 0.0017 Å
• b: 13.149 ± 0.004 Å
• c: 16.007 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.8 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes