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. 2011 Sep 1;67(Pt 9):o2350.
doi: 10.1107/S1600536811032272. Epub 2011 Aug 17.

2,4-Dioxo-1-(prop-2-yn-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carbaldehyde

Yan He  1 , Liang-Yan Cui, Xin-Ying Zhang
Affiliations

2,4-Dioxo-1-(prop-2-yn-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carbaldehyde

Yan He et al. Acta Crystallogr Sect E Struct Rep Online. .

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.

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Figures

Fig. 1.
Fig. 1.
Molecular structure of the title compound, with displacement ellipsoids drawn at the 30% probability level.
Fig. 2.
Fig. 2.
Crystal packing of the title compound with view along the a axis. Intermolecular N—H···O hydrogen bonds are shown as dashed lines.
See this image and copyright information in PMC

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