Information card for entry 2216346

Structure parameters

• Chemical name: 2-Benzylsulfanyl-1<i>H</i>-benzimidazole
• Formula: C14 H12 N2 S
• Calculated formula: C14 H12 N2 S
• SMILES: c1(nc2ccccc2[nH]1)SCc1ccccc1
• Title of publication: 2-Benzylsulfanyl-1<i>H</i>-benzimidazole
• Authors of publication: Yavo, Edi Aimé; Kakou-Yao, R.; Coulibaly, Siomenan; Abou, Akoun; Tenon, A. Jules
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4551 - o4551
• a: 12.373 ± 0.007 Å
• b: 9.807 ± 0.005 Å
• c: 9.942 ± 0.003 Å
• α: 90°
• β: 91.084 ± 0.003°
• γ: 90°
• Cell volume: 1206.2 ± 1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.0434
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes