Information card for entry 2215398

Structure parameters

• Chemical name: Methyl (1<i>H</i>-benzimidazol-2-ylsulfanyl)acetate
• Formula: C10 H10 N2 O2 S
• Calculated formula: C10 H10 N2 O2 S
• SMILES: S(c1[nH]c2ccccc2n1)CC(=O)OC
• Title of publication: Methyl (1<i>H</i>-benzimidazol-2-ylsulfanyl)acetate
• Authors of publication: Bibila Mayaya Bisseyou, Yvon; Adohi-Krou, A.; Zoakouma, Roger S. P.; Yao-Kakou, R. C. A.; Ebby, N'dédé
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3987 - o3987
• a: 9.337 ± 0.009 Å
• b: 13.418 ± 0.015 Å
• c: 9.667 ± 0.008 Å
• α: 90°
• β: 116.04 ± 0.07°
• γ: 90°
• Cell volume: 1088 ± 2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes