Information card for entry 2215304

Structure parameters

• Chemical name: 4,4',6,6'-Tetramethyl-2,2'-(ethylenedithio)dipyrimidine
• Formula: C14 H18 N4 S2
• Calculated formula: C14 H18 N4 S2
• SMILES: Cc1nc(SCCSc2nc(C)cc(n2)C)nc(c1)C
• Title of publication: 4,4',6,6'-Tetramethyl-2,2'-(ethylenedithio)dipyrimidine
• Authors of publication: Wu, Guang-Hui; Wu, Xin-Min; Zhang, Jing-Ping; Liu, Tian-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3776 - o3776
• a: 8.487 ± 0.005 Å
• b: 9.167 ± 0.005 Å
• c: 10.557 ± 0.005 Å
• α: 85.282 ± 0.005°
• β: 83.264 ± 0.005°
• γ: 89.711 ± 0.005°
• Cell volume: 812.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.375
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes