Information card for entry 4517256

Structure parameters

• Common name: 6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate
• Chemical name: 6,6'-(pyridine-3,4-diyl)bis(1,3,5-triazine-2,4-diamine) dimethyl sulfoxide solvate
• Formula: C13 H17 N11 O S
• Calculated formula: C13 H17 N11 O S
• 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: 19.3777 ± 0.0007 Å
• b: 9.5631 ± 0.0003 Å
• c: 18.9111 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3504.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes