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1-(4-tert-Butyl-benz-yl)pyrimidine-2,4(1H,3H)-dione.

ABSTRACT: The asymmetric unit of the title compound, C(15)H(18)N(2)O(2), contains two independent mol-ecules with essentially identical geometries and conformations. The dihedral angles between the benzene and pyrimidine rings in the two mol-ecules are 89.96?(11) and 73.91?(11)°. The six methyl groups are disordered over two sets of sites, with site occupancies of 0.545?(4):0.455?(4) and 0.542?(7):0.458?(7) in the two mol-ecules. The crystal structure is stabilized by N-H?O hydrogen bonds.

SUBMITTER: Wang HS

PROVIDER: S-EPMC3344008 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

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1-(4-tert-Butyl-benz-yl)pyrimidine-2,4(1H,3H)-dione.

Wang Hong-Sheng HS Li Gong-Chun GC

Acta crystallographica. Section E, Structure reports online 20120314 Pt 4

The asymmetric unit of the title compound, C(15)H(18)N(2)O(2), contains two independent mol-ecules with essentially identical geometries and conformations. The dihedral angles between the benzene and pyrimidine rings in the two mol-ecules are 89.96 (11) and 73.91 (11)°. The six methyl groups are disordered over two sets of sites, with site occupancies of 0.545 (4):0.455 (4) and 0.542 (7):0.458 (7) in the two mol-ecules. The crystal structure is stabilized by N-H⋯O hydrogen bonds. ...[more]

PMID: 22589917

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