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. 2012 Mar 1;68(Pt 3):o863.
doi: 10.1107/S1600536812007350. Epub 2012 Feb 29.

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

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

Adel S El-Azab et al. Acta Crystallogr Sect E Struct Rep Online. .

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].

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Figures

Fig. 1.
Fig. 1.
The molecular structure of (I) showing displacement ellipsoids at the 50% probability level.
Fig. 2.
Fig. 2.
A view of the two-molecular aggregate in (I) sustained by C—H···O and π–π interactions shown as orange and purple dashed lines, respectively.
Fig. 3.
Fig. 3.
A view of the assembly of two-molecule aggregates in the bc plane in (I). The C—H···O and π–π interactions are shown as orange and purple dashed lines, respectively.
Fig. 4.
Fig. 4.
A view in projection down the a axis of the unit-cell contents of (I). The C—H···O and π–π interactions are shown as orange and purple dashed lines, respectively.

References

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