Information card for entry 2226908

Structure parameters

• Chemical name: 5-Bromo-1<i>H</i>-thieno[2,3-<i>d</i>]imidazole
• Formula: C5 H3 Br N2 S
• Calculated formula: C5 H3 Br N2 S
• SMILES: Brc1sc2nc[nH]c2c1
• Title of publication: 5-Bromo-1<i>H</i>-thieno[2,3-<i>d</i>]imidazole
• Authors of publication: Wang, Fen; Ninkovic, Sacha; Collins, Michael; Moore, Curtis; Rheingold, Arnold L.; Yanovsky, Alex
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2021
• a: 3.8917 ± 0.0011 Å
• b: 17.118 ± 0.005 Å
• c: 9.405 ± 0.003 Å
• α: 90°
• β: 91.359 ± 0.003°
• γ: 90°
• Cell volume: 626.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes