Information card for entry 2221997

Structure parameters

• Chemical name: 4,6-Dimethyl-2-thioxo-1,2-dihydropyrimidin-3-ium chloride‒thiourea (1/1)
• Formula: C7 H13 Cl N4 S2
• Calculated formula: C7 H13 Cl N4 S2
• Title of publication: 4,6-Dimethyl-2-thioxo-1,2-dihydropyrimidin-3-ium chloride‒thiourea (1/1)
• Authors of publication: Gaye, Papa Aly; Barry, Aliou Hamady; Gaye, Mohamed; Sarr, Aminata Diasse; Sall, Abdou Salam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1252
• a: 6.6459 ± 0.0004 Å
• b: 21.6144 ± 0.0014 Å
• c: 8.3878 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1204.88 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes