Information card for entry 2015647

Structure parameters

• Common name: n
• Chemical name: 1-(4,6-diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one
• Formula: C15 H15 N5 O3 S
• Calculated formula: C15 H15 N5 O3 S
• Title of publication: 1-(4,6-Diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one
• Authors of publication: Xue, Si-Jia; Wang, Qing-Dong; Li, Jing-Zhi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o666 - o668
• a: 9.0543 ± 0.001 Å
• b: 17.884 ± 0.002 Å
• c: 10.3365 ± 0.0012 Å
• α: 90°
• β: 102.84 ± 0.002°
• γ: 90°
• Cell volume: 1631.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes