Information card for entry 2216985

Structure parameters

• Chemical name: 2-(4,6-Dimethylpyrimidin-2-ylsulfanyl)-<i>N</i>-(4-methylpyridin-2-yl)acetamide
• Formula: C14 H16 N4 O S
• Calculated formula: C14 H16 N4 O S
• SMILES: S(CC(=O)Nc1nccc(c1)C)c1nc(cc(n1)C)C
• Title of publication: 2-(4,6-Dimethylpyrimidin-2-ylsulfanyl)-<i>N</i>-(4-methylpyridin-2-yl)acetamide
• Authors of publication: Dong Liang; Li-Xing Gao; Yan Gao; Jing Xu; Wei Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o201 - o201
• a: 5.1924 ± 0.0019 Å
• b: 15.423 ± 0.005 Å
• c: 18.121 ± 0.006 Å
• α: 90°
• β: 91.678 ± 0.006°
• γ: 90°
• Cell volume: 1450.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes