Information card for entry 2211693

Structure parameters

• Chemical name: 1,3-Dimethyl-5-(thiazol-2-yldiazenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
• Formula: C9 H9 N5 O3 S
• Calculated formula: C9 H9 N5 O3 S
• SMILES: s1c(ncc1)NN=C1C(=O)N(C(=O)N(C1=O)C)C
• Title of publication: 1,3-Dimethyl-5-(thiazol-2-yldiazenyl)pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione
• Authors of publication: Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Çelik, Mehmet Emin; Ertan, Nermin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5855 - o5857
• a: 15.3047 ± 0.0005 Å
• b: 7.4568 ± 0.0002 Å
• c: 19.5403 ± 0.0005 Å
• α: 90°
• β: 92.152 ± 0.002°
• γ: 90°
• Cell volume: 2228.45 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes