Information card for entry 4517257

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: C16 H28 N12 O3 S3
• Calculated formula: C16 H28 N12 O3 S3
• 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: 8.6367 ± 0.0003 Å
• b: 15.6587 ± 0.0005 Å
• c: 19.3519 ± 0.0007 Å
• α: 80.649 ± 0.001°
• β: 83.362 ± 0.001°
• γ: 74.699 ± 0.001°
• Cell volume: 2483.54 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes