Information card for entry 2240675

Structure parameters

• Chemical name: 2-Butylsulfanyl-4,6-bis[(<i>E</i>)-styryl]pyrimidine
• Formula: C24 H24 N2 S
• Calculated formula: C24 H24 N2 S
• SMILES: S(c1nc(cc(n1)/C=C/c1ccccc1)/C=C/c1ccccc1)CCCC
• Title of publication: Crystal structure of 2-butylsulfanyl-4,6-bis[(<i>E</i>)-styryl]pyrimidine
• Authors of publication: Wang, Aijian; Li, Guanghui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o368
• a: 9.0447 ± 0.0018 Å
• b: 9.3798 ± 0.0019 Å
• c: 23.802 ± 0.007 Å
• α: 90°
• β: 103.44 ± 0.03°
• γ: 90°
• Cell volume: 1964 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes