Information card for entry 2006389

Structure parameters

• Common name: 1,3-dimethylimidazole-2-thione
• Chemical name: 1,3-dimethyl-2(3H)-imidazolethione
• Formula: C5 H8 N2 S
• Calculated formula: C5 H8 N2 S
• SMILES: S=C1N(C)C=CN1C
• Title of publication: Redetermination of 1,3-Dimethylimidazole-2-thione
• Authors of publication: Tomlin, David W.; Campbell, Daniel P.; Fleitz, Paul A.; Adams, W. Wade
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1153 - 1154
• a: 8.468 ± 0.0014 Å
• b: 11.1997 ± 0.0007 Å
• c: 6.822 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 646.99 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No