Information card for entry 2204546

Structure parameters

• Common name: 4-tert-Butyl-1-isopropyl-1H-imidazole-2(3H)-thione
• Chemical name: 4-tert-Butyl-1-isopropyl-1H-imidazole-2(3H)-thione
• Formula: C10 H18 N2 S
• Calculated formula: C10 H18 N2 S
• SMILES: S=C1NC(=CN1C(C)C)C(C)(C)C
• Title of publication: 4-<i>tert</i>-Butyl-1-isopropyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione
• Authors of publication: Brito, Iván; Caŕdenas, Alejandro; Loṕez-Rodriǵuez, Matías; Cristian Gutieŕrez; Andrea Reyes
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2127 - o2129
• a: 10.051 ± 0.002 Å
• b: 10.176 ± 0.002 Å
• c: 11.762 ± 0.002 Å
• α: 90°
• β: 103.76 ± 0.02°
• γ: 90°
• Cell volume: 1168.5 ± 0.4 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes