{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 4)"],"submitter":["Wang HS"],"pubmed_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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1047"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3344008"],"repository":["biostudies-literature"],"pubmed_title":["1-(4-tert-Butyl-benz-yl)pyrimidine-2,4(1H,3H)-dione."],"pmcid":["PMC3344008"],"pubmed_authors":["Li GC","Wang HS"],"additional_accession":[]},"is_claimable":false,"name":"1-(4-tert-Butyl-benz-yl)pyrimidine-2,4(1H,3H)-dione.","description":"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.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Apr","modification":"2025-04-04T09:12:04.261Z","creation":"2019-03-27T00:53:03Z"},"accession":"S-EPMC3344008","cross_references":{"pubmed":["22589917"],"doi":["10.1107/S1600536812008999"]}}