Information card for entry 2015228

Structure parameters

• Common name: cyclohexanespiro-4'-imidazolidine-2',5'-dithione
• Chemical name: 1,3-diazaspiro[4.5]decane-2,4-dithione
• Formula: C8 H12 N2 S2
• Calculated formula: C8 H12 N2 S2
• SMILES: S=C1NC2(C(=S)N1)CCCCC2
• Title of publication: Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones
• Authors of publication: Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o211 - o215
• a: 8.6896 ± 0.001 Å
• b: 12.2674 ± 0.0015 Å
• c: 9.7864 ± 0.001 Å
• α: 90°
• β: 109.86 ± 0.09°
• γ: 90°
• Cell volume: 981.2 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No