Information card for entry 2235491

Structure parameters

• Chemical name: 2-[(1<i>H</i>-Benzimidazol-2-yl)sulfanyl]-1-phenylethanone
• Formula: C15 H12 N2 O S
• Calculated formula: C15 H12 N2 O S
• SMILES: S(c1nc2ccccc2[nH]1)CC(=O)c1ccccc1
• Title of publication: 2-[(1<i>H</i>-Benzimidazol-2-yl)sulfanyl]-1-phenylethanone
• Authors of publication: Abdel-Aziz, Hatem A.; Chia, Tze Shyang; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2262
• a: 14.7849 ± 0.0013 Å
• b: 9.2643 ± 0.0008 Å
• c: 9.7859 ± 0.0008 Å
• α: 90°
• β: 106.792 ± 0.001°
• γ: 90°
• Cell volume: 1283.24 ± 0.19 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes