<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>67(Pt 9)</volume><submitter>He Y</submitter><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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o2350</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3200754</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>2,4-Dioxo-1-(prop-2-yn-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carbaldehyde.</pubmed_title><pmcid>PMC3200754</pmcid><pubmed_authors>Zhang XY</pubmed_authors><pubmed_authors>Cui LY</pubmed_authors><pubmed_authors>He Y</pubmed_authors></additional><is_claimable>false</is_claimable><name>2,4-Dioxo-1-(prop-2-yn-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carbaldehyde.</name><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.</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 Sep</publication><modification>2024-11-09T09:53:34.887Z</modification><creation>2019-03-26T23:59:26Z</creation></dates><accession>S-EPMC3200754</accession><cross_references><pubmed>22058966</pubmed><doi>10.1107/S1600536811032272</doi></cross_references></HashMap>