Quinazoline-2,4(1H,3H)-dione

Ge Liu

doi:10.1107/s1600536808024240

Abstract

In the title compound, C8H6N2O2, intermolecular N—H⋯O hydrogen bonds involving the amine and carbonyl groups create centrosymmetric dimers between adjacent nearly coplanar molecules. These dimers are further connected by weak N—H⋯O hydrogen bonds, forming a two-dimensional network. Molecules are packed in the crystal structure with adjacent benzene and pyrimidine rings approximately coplanar; the centroid–centroid separation is 3.863 Å and the dihedral angle between the mean planes is 0.64°, indicating the presence of weak intermolecular face-to-face π–π stacking interactions.

Highlights

In the title compound, C8H6N2O2, intermolecular N—H O hydrogen bonds involving the amine and carbonyl groups create centrosymmetric dimers between adjacent nearly coplanar molecules
Hydrogen bonds involving the amine and carbonyl groups create centrosymmetric dimers between adjacent nearly coplanar molecules. These dimers are further connected by weak N—H O hydrogen bonds, forming a two-dimensional network
Molecules are packed in the crystal structure with adjacent benzene and pyrimidine rings approximately coplanar; the centroid–centroid separation is 3.863 Å and the dihedral angle between the mean planes is 0.64, indicating the presence of weak intermolecular face-to-face – stacking interactions

Summary

Data collection

R factor = 0.055; wR factor = 0.104; data-to-parameter ratio = 11.5. C8H6N2O2, intermolecular N—H O hydrogen bonds involving the amine and carbonyl groups create centrosymmetric dimers between adjacent nearly coplanar molecules. These dimers are further connected by weak N—H O hydrogen bonds, forming a two-dimensional network. Molecules are packed in the crystal structure with adjacent benzene and pyrimidine rings approximately coplanar; the centroid–centroid separation is 3.863 Å and the dihedral angle between the mean planes is 0.64 , indicating the presence of weak intermolecular face-to-face – stacking interactions

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