{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 9)"],"submitter":["He Y"],"pubmed_abstract":["In the crystal structure of the title compound, C(8)H(6)N(2)O(3), the mol-ecules are linked by a pairs of inter-molecular N-H⋯O hydrogen bonds, forming inversion dimers. The aldehyde group is in the same plane as the pyrimidine ring [with a maximum deviation of 0.083 (2) Å for the O atom), and the linear propargyl group [C-C-C = 178.99 (19)°] makes a dihedral angle of 74.36 (13)° with the ring."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2350"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3200754"],"repository":["biostudies-literature"],"pubmed_title":["2,4-Dioxo-1-(prop-2-yn-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carbaldehyde."],"pmcid":["PMC3200754"],"pubmed_authors":["Zhang XY","Cui LY","He Y"],"additional_accession":[]},"is_claimable":false,"name":"2,4-Dioxo-1-(prop-2-yn-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carbaldehyde.","description":"In the crystal structure of the title compound, C(8)H(6)N(2)O(3), the mol-ecules are linked by a pairs of inter-molecular N-H⋯O hydrogen bonds, forming inversion dimers. The aldehyde group is in the same plane as the pyrimidine ring [with a maximum deviation of 0.083 (2) Å for the O atom), and the linear propargyl group [C-C-C = 178.99 (19)°] makes a dihedral angle of 74.36 (13)° with the ring.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Sep","modification":"2024-11-09T09:53:34.887Z","creation":"2019-03-26T23:59:26Z"},"accession":"S-EPMC3200754","cross_references":{"pubmed":["22058966"],"doi":["10.1107/S1600536811032272"]}}