Information card for entry 2238617

Structure parameters

• Common name: 6-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06)
• Chemical name: 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole‒\ 6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole (0.94/0.06)
• Formula: C16 H11 Cl N2 S2
• Calculated formula: C16 H11 Cl N2 S2
• SMILES: Clc1ccc2c(c1)nc(n2Cc1cccs1)c1cccs1
• Title of publication: 5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole‒6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole (0.94/0.06)
• Authors of publication: Geiger, David K.; Nellist, Michael R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1539 - o1540
• a: 12.7407 ± 0.0011 Å
• b: 10.5126 ± 0.0008 Å
• c: 22.955 ± 0.002 Å
• α: 90°
• β: 100.461 ± 0.003°
• γ: 90°
• Cell volume: 3023.4 ± 0.4 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: 0.0517
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No