Information card for entry 2202112

Structure parameters

• Chemical name: 1,1'-(1,2-Ethanediyl)bis(2,3-dihydro-3-methyl-1H-imidazole-2-thione)
• Formula: C10 H14 N4 S2
• Calculated formula: C10 H14 N4 S2
• SMILES: S=C1N(C=CN1CCN1C(=S)N(C=C1)C)C
• Title of publication: 1,1'-(1,2-Ethanediyl)bis(2,3-dihydro-3-methyl-1<i>H</i>-imidazole-2-thione)
• Authors of publication: Qingjian Liu; Daqing Shi; Kaibei Yu; Jianhua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o356 - o357
• a: 4.667 ± 0.001 Å
• b: 19.72 ± 0.003 Å
• c: 7.037 ± 0.001 Å
• α: 90°
• β: 107.08 ± 0.01°
• γ: 90°
• Cell volume: 619.07 ± 0.19 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 4
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes