Information card for entry 4517258

Structure parameters

• Common name: 6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate
• Chemical name: 6,6'-(pyrazine-2,3-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate
• Formula: C14 H22 N12 O2 S2
• Calculated formula: C14 H22 N12 O2 S2
• Title of publication: Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine
• Authors of publication: Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest
• Journal of publication: Crystal growth and Design
• Year of publication: 2019
• Journal volume: 19
• Pages of publication: 1299
• a: 16.8304 ± 0.0006 Å
• b: 14.237 ± 0.0005 Å
• c: 18.0925 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4335.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes