Information card for entry 4038522

Structure parameters

• Formula: C10 H11 N3 S2
• Calculated formula: C10 H11 N3 S2
• Title of publication: One-pot synthesis of 1,3,5-triazine-2,4-dithione derivatives via three-component reactions
• Authors of publication: Kang, Gui-Feng; Zhang, Gang
• Journal of publication: Beilstein Journal of Organic Chemistry
• Year of publication: 2020
• Journal volume: 16
• Pages of publication: 1447 - 1455
• a: 5.258 ± 0.004 Å
• b: 8.81 ± 0.006 Å
• c: 12.257 ± 0.009 Å
• α: 99.991 ± 0.009°
• β: 98.639 ± 0.008°
• γ: 95.953 ± 0.008°
• Cell volume: 547.9 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2374
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No