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

ABSTRACT: The mol-ecule of the title compound, C10H11N3O, is planar, including the ethyl group, as indicated by the N-C-C-C torsion angle of 1.5?(2)°. In the crystal, inversion-related mol-ecules are stacked along the a axis. Mol-ecules are oriented head-to-tail and display ?-? inter-actions with a centroid-to-centroid distance of 3.6664?(8)?Å. N-H?O hydrogen bonds between mol-ecules generate a 'step' structure through formation of an R 2 (2)(10) ring.

SUBMITTER: El-Hiti GA

PROVIDER: S-EPMC4555403 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

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

El-Hiti Gamal A GA Smith Keith K Hegazy Amany S AS Baashen Mohammed M Kariuki Benson M BM

Acta crystallographica. Section E, Crystallographic communications 20150806 Pt 9

The mol-ecule of the title compound, C10H11N3O, is planar, including the ethyl group, as indicated by the N-C-C-C torsion angle of 1.5 (2)°. In the crystal, inversion-related mol-ecules are stacked along the a axis. Mol-ecules are oriented head-to-tail and display π-π inter-actions with a centroid-to-centroid distance of 3.6664 (8) Å. N-H⋯O hydrogen bonds between mol-ecules generate a 'step' structure through formation of an R 2 (2)(10) ring. ...[more]

PMID: 26396885

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

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3-(2-Hydroxy-ethyl)-2-(p-tolyl-amino)-quinazolin-4(3H)-one.

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Project description:The mol-ecular and crystal structures of the title compound, C(16)H(14)FN(3)O(2), are stabilized by intra-molecular N-H?O and inter-molecular O-H?O hydrogen bonds. The existence of non-classical intra-molecular C-H?N hydrogen bonds provides a dihedral angle between the fluoro-substituted benzene and pyrimidinone rings of 7.9?(1)°.

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Crystal structure of 2-ethyl-quinazoline-4(3H)-thione.

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Project description:The title methanol hemisolvated quinazolin-(3H)-one, C(16)H(16)N(4)O·0.5CH(3)OH, has an anilino substituent in the 2-position and an amino-ethyl substituent in the 3-position of the planar fused-ring system (r.m.s. deviation = 0.019 Å). The anilino N atom donates an intramolecular hydrogen bond to the amino-ethyl N atom. The mol-ecule and the solvent methanol mol-ecule are linked by N-H⋯N, N-H⋯O and O-H⋯O hydrogen bonds. The methanol mol-ecule is disordered over two equally occupied positions about a twofold rotation axis.

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