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

ABSTRACT: In the title compound, C(8)H(6)N(2)O(2), inter-molecular N-H?O hydrogen bonds involving the amine and carbonyl groups create centrosymmetric dimers between adjacent nearly coplanar mol-ecules. These dimers are further connected by weak N-H?O hydrogen bonds, forming a two-dimensional network. Mol-ecules 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 inter-molecular face-to-face ?-? stacking inter-actions.

SUBMITTER: Liu G

PROVIDER: S-EPMC2960707 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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

Liu Ge G

Acta crystallographica. Section E, Structure reports online 20080806 Pt 9

In the title compound, C(8)H(6)N(2)O(2), inter-molecular N-H⋯O hydrogen bonds involving the amine and carbonyl groups create centrosymmetric dimers between adjacent nearly coplanar mol-ecules. These dimers are further connected by weak N-H⋯O hydrogen bonds, forming a two-dimensional network. Mol-ecules 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 ...[more]

PMID: 21201667

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