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Crystal structure of 3-amino-2-propyl-quinazolin-4(3H)-one.

ABSTRACT: In the title mol-ecule, C11H13N3O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98?(9)°. In the crystal, mol-ecules related by an inversion centre are paired via ?-? overlap, indicated by the short distances of 3.616?(5) and 3.619?(5)?Å between the centroids of the aromatic rings of neighbouring mol-ecules. Inter-molecular N-H?N and N-H?O hydrogen bonds form R 6 (6)(30) rings and C(5) chains, respectively, generating a three-dimensional network. Weak C-H?O inter-actions are also observed.

SUBMITTER: El-Hiti GA

PROVIDER: S-EPMC4571413 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 3-amino-2-propyl-quinazolin-4(3H)-one.

El-Hiti Gamal A GA Smith Keith K Hegazy Amany S AS Alanazi Saud A SA Kariuki Benson M BM

Acta crystallographica. Section E, Crystallographic communications 20150722 Pt 8

In the title mol-ecule, C11H13N3O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98 (9)°. In the crystal, mol-ecules related by an inversion centre are paired via π-π overlap, indicated by the short distances of 3.616 (5) and 3.619 (5) Å between the centroids of the aromatic rings of neighbouring mol-ecules. Inter-molecular N-H⋯N and N-H⋯O hydrogen bonds form R 6 (6)(30) rings and C(5) chains, respectively, generating a three-dimen ...[more]

PMID: 26396813

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