Information card for entry 2236477

Structure parameters

• Common name: 5-Bromo-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole
• Chemical name: 5-Bromo-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole
• Formula: C16 H11 Br N2 S2
• Calculated formula: C16 H11 Br N2 S2
• SMILES: Brc1ccc2c(c1)nc(n2Cc1cccs1)c1cccs1
• Title of publication: 5-Bromo-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole
• Authors of publication: Geiger, David K.; Destefano, Matthew R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3123
• a: 12.6753 ± 0.0017 Å
• b: 10.5413 ± 0.0011 Å
• c: 23.581 ± 0.003 Å
• α: 90°
• β: 100.878 ± 0.004°
• γ: 90°
• Cell volume: 3094.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0622
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes