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2-Methyl-3-(2-methyl-phen-yl)-7-nitro-quinazolin-4(3H)-one.

ABSTRACT: In the title methaqua-lone analogue, C(16)H(13)N(3)O(3), the 2-tolyl group is almost orthogonal [dihedral angle = 85.20 (5)°] to the fused ring system (r.m.s. deviation of fitted non-H atoms = 0.029 Å). In the crystal, twofold symmetry generates two-mol-ecule aggregates linked by C-H⋯O and π-π inter-actions [ring centroid-centroid distance = 3.4967 (6) Å].

SUBMITTER: El-Azab AS

PROVIDER: S-EPMC3297915 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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2-Methyl-3-(2-methyl-phen-yl)-7-nitro-quinazolin-4(3H)-one.

El-Azab Adel S AS Abdel-Aziz Alaa A-M AA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120229 Pt 3

In the title methaqua-lone analogue, C(16)H(13)N(3)O(3), the 2-tolyl group is almost orthogonal [dihedral angle = 85.20 (5)°] to the fused ring system (r.m.s. deviation of fitted non-H atoms = 0.029 Å). In the crystal, twofold symmetry generates two-mol-ecule aggregates linked by C-H⋯O and π-π inter-actions [ring centroid-centroid distance = 3.4967 (6) Å]. ...[more]

PMID: 22412718

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