Information card for entry 2227080

Structure parameters

• Chemical name: 2-dimethylamino-5,6-dimethylpyrimidin-4-yl <i>N</i>,<i>N</i>-dimethylcarbamate
• Formula: C11 H18 N4 O2
• Calculated formula: C11 H18 N4 O2
• SMILES: O(c1nc(nc(c1C)C)N(C)C)C(=O)N(C)C
• Title of publication: Pirimicarb: 2-dimethylamino-5,6-dimethylpyrimidin-4-yl dimethylcarbamate
• Authors of publication: Yang, Hojin; Kim, Tae Ho; Shin, Yong Woon; Park, Ki-Min; Kim, Jineun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1998
• a: 13.5607 ± 0.0007 Å
• b: 7.7868 ± 0.0004 Å
• c: 13.1323 ± 0.0007 Å
• α: 90°
• β: 114.907 ± 0.003°
• γ: 90°
• Cell volume: 1257.72 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes