Information card for entry 2235179

Structure parameters

• Chemical name: 4-Phenyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione
• Formula: C9 H8 N2 S
• Calculated formula: C9 H8 N2 S
• SMILES: N1C(=S)NC(c2ccccc2)=C1
• Title of publication: 4-Phenyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione
• Authors of publication: Owczarzak, Anita M.; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1686
• a: 11.7578 ± 0.0005 Å
• b: 11.8071 ± 0.0005 Å
• c: 25.1339 ± 0.0018 Å
• α: 90°
• β: 91.858 ± 0.006°
• γ: 90°
• Cell volume: 3487.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes