Information card for entry 2212427

Structure parameters

• Chemical name: 6-Amino-1,3-dimethyl-5-(4-methylthiazol-2-yldiazenyl)uracil
• Formula: C10 H12 N6 O2 S
• Calculated formula: C10 H12 N6 O2 S
• SMILES: s1c(nc(c1)C)N=NC1=C(N(C(=O)N(C1=O)C)C)N
• Title of publication: 6-Amino-1,3-dimethyl-5-(4-methylthiazol-2-yldiazenyl)uracil
• Authors of publication: Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o571 - o573
• a: 9.3604 ± 0.0003 Å
• b: 10.3052 ± 0.0003 Å
• c: 13.2638 ± 0.0005 Å
• α: 90°
• β: 93.391 ± 0.002°
• γ: 90°
• Cell volume: 1277.2 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1396
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes