Information card for entry 2207904

Structure parameters

• Chemical name: 5-Benzylamino-6-phenyl-2-propylsulfanylthiazolo[5,4-d]pyrimidin-7(6H)-one
• Formula: C21 H20 N4 O S2
• Calculated formula: C21 H20 N4 O S2
• Title of publication: 5-Benzylamino-6-phenyl-2-propylsulfanylthiazolo[5,4-<i>d</i>]pyrimidin-7(6<i>H</i>)-one
• Authors of publication: Nian-Yu Huang; Ju-Zhen Yuan; Rui-Jun Xu; Ming-Wu Ding; Hongwu He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o88 - o90
• a: 23.314 ± 0.0006 Å
• b: 23.314 ± 0.0006 Å
• c: 7.7925 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4235.6 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes