Information card for entry 2208883

Structure parameters

• Chemical name: 5-(4-Fluorobenzylamino)-3,6-diphenyl-2-thioxo-2,3-dihydro-1,3- thiazolo[4,5-d]pyrimidin-7(6H)-one
• Formula: C24 H17 F N4 O S2
• Calculated formula: C24 H17 F N4 O S2
• SMILES: c1ccccc1n1c(=O)c2c(nc1NCc1ccc(cc1)F)N(C(=S)S2)c1ccccc1
• Title of publication: 5-(4-Fluorobenzylamino)-3,6-diphenyl-2-thioxo-2,3-dihydro-1,3-thiazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one
• Authors of publication: Zhang, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2062 - o2063
• a: 10.4507 ± 0.0014 Å
• b: 9.2317 ± 0.0012 Å
• c: 11.9817 ± 0.0016 Å
• α: 90°
• β: 104.691 ± 0.002°
• γ: 90°
• Cell volume: 1118.2 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes