Information card for entry 2229099

Structure parameters

• Chemical name: 2-(2,2-Dibromoethenyl)thiophene
• Formula: C6 H4 Br2 S
• Calculated formula: C6 H4 Br2 S
• SMILES: BrC(=Cc1cccs1)Br
• Title of publication: 2-(2,2-Dibromoethenyl)thiophene
• Authors of publication: Clément, Sebastien; Guyard, Laurent; Knorr, Michael; Eckert, Prisca K.; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o481
• a: 9.6843 ± 0.0019 Å
• b: 7.2379 ± 0.0014 Å
• c: 11.484 ± 0.002 Å
• α: 90°
• β: 109.16 ± 0.03°
• γ: 90°
• Cell volume: 760.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes