Information card for entry 2233549

Structure parameters

• Common name: 1-(thiophene-2-methyl)-2-(2-thiophene)benzimidazole
• Chemical name: 2-(Thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole
• Formula: C16 H12 N2 S2
• Calculated formula: C16 H12 N2 S2
• SMILES: c1csc(c1)Cn1c(nc2c1cccc2)c1cccs1
• Title of publication: 2-(Thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole
• Authors of publication: Geiger, David K.; Geiger, H. Cristina; Williams, Leo; Noll, Bruce C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o420
• a: 8.9859 ± 0.0013 Å
• b: 9.1601 ± 0.0011 Å
• c: 17.476 ± 0.003 Å
• α: 90°
• β: 93.629 ± 0.005°
• γ: 90°
• Cell volume: 1435.6 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes