Information card for entry 2207962

Structure parameters

• Chemical name: 2,2'-Bi-1,3-thiazolidine
• Formula: C6 H12 N2 S2
• Calculated formula: C6 H12 N2 S2
• SMILES: C1CS[C@@H](N1)[C@H]1NCCS1
• Title of publication: 2,2'-Bi-1,3-thiazolidine
• Authors of publication: Yliana López; M. Eugenia Ochoa; Rosa Santillan; Norberto Farfán; Efrén V. García-Báez; Itzia I. Padilla-Martínez
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o525 - o527
• a: 9.4931 ± 0.0006 Å
• b: 5.007 ± 0.0004 Å
• c: 9.5942 ± 0.0008 Å
• α: 90°
• β: 114.844 ± 0.003°
• γ: 90°
• Cell volume: 413.83 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes