Information card for entry 2214031

Structure parameters

• Chemical name: 5-Methoxy-1<i>H</i>-benzo[<i>d</i>]imidazole-2(3<i>H</i>)-thione
• Formula: C8 H8 N2 O S
• Calculated formula: C8 H8 N2 O S
• SMILES: C1(=S)Nc2cc(ccc2N1)OC
• Title of publication: 5-Methoxy-1<i>H</i>-benzo[<i>d</i>]imidazole-2(3<i>H</i>)-thione
• Authors of publication: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan; Narayana, B.; Vijeshi, A. M.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3199 - o3200
• a: 7.4922 ± 0.0008 Å
• b: 7.6532 ± 0.0008 Å
• c: 8.8403 ± 0.0009 Å
• α: 90.316 ± 0.008°
• β: 114.148 ± 0.008°
• γ: 118.516 ± 0.007°
• Cell volume: 393.47 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes