Information card for entry 3000465

Structure parameters

• Formula: C4 H6 Cl2 N2 S2
• Authors of publication: Boris Shivachev; Vanya Kurteva; Rusi Rusew; Zhanina Petkova
• Journal of publication: To be published in The Journal of Heterocyclic Chemistry
• a: 8.3182 ± 0.0006 Å
• b: 11.8171 ± 0.0007 Å
• c: 9.5657 ± 0.0006 Å
• α: 90°
• β: 114.594 ± 0.009°
• γ: 90°
• Cell volume: 854.98 ± 0.11 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No