{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 12)"],"submitter":["Anuradha N"],"pubmed_abstract":["In the title mol-ecule, C(13)H(13)ClN(2)OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 85.6?(1)° with the benzene ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter-molecular N-H?O, N-H?S and C-H?S hydrogen bonds are found in the crystal structure. A weak C-H?? inter-action involving the benzene ring also occurs."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o3068"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2972027"],"repository":["biostudies-literature"],"pubmed_title":["5-Acetyl-4-(2-chloro-phen-yl)-6-methyl-3,4-dihydro-pyrimidine-2(1H)-thione."],"pmcid":["PMC2972027"],"pubmed_authors":["Anuradha N","Thiruvalluvar A","Butcher RJ","Chitra S","Pandiarajan K"],"additional_accession":[]},"is_claimable":false,"name":"5-Acetyl-4-(2-chloro-phen-yl)-6-methyl-3,4-dihydro-pyrimidine-2(1H)-thione.","description":"In the title mol-ecule, C(13)H(13)ClN(2)OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 85.6?(1)° with the benzene ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter-molecular N-H?O, N-H?S and C-H?S hydrogen bonds are found in the crystal structure. A weak C-H?? inter-action involving the benzene ring also occurs.","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Nov","modification":"2021-02-20T23:03:25Z","creation":"2019-03-27T00:36:19Z"},"accession":"S-EPMC2972027","cross_references":{"pubmed":["21578798"],"doi":["10.1107/S1600536809047187"]}}