Abstract
In the title compound, C13H12N2O4, the dihedral angle between the benzene and pyrimidine rings is 55.57 (13)°. The carbonyl group and the two methoxyl groups are approximately coplanar with the benzene ring and pyrimidine ring; the C—C—C—O, C—O—C—N and C—O—C—C torsion angles being −6.1 (5), −4.8 (4) and 179.9 (3)°, respectively. In the crystal, molecules are linked via C—H⋯O interactions, forming chains propagating along [110].
Highlights
Z=2 Mo K radiation = 0.11 mmÀ1 T = 293 K 0.30 Â 0.20 Â 0.10 mm 2227 independent reflections 1790 reflections with I > 2(I) Rint = 0.024 3 standard reflections every 200 reflections intensity decay: 1%
The carbonyl group and the two methoxyl groups are approximately coplanar with the benzene ring and pyrimidine ring; the C—C—C—O, C—O—C—N and C—O—C—C torsion angles being À6.1 (5), À4.8 (4) and 179.9 (3), respectively
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.004 A; R factor = 0.046; wR factor = 0.131; data-to-parameter ratio = 12.9. C13H12N2O4, the dihedral angle between the benzene and pyrimidine rings is 55.57 (13). The carbonyl group and the two methoxyl groups are approximately coplanar with the benzene ring and pyrimidine ring; the C—C—C—O, C—O—C—N and C—O—C—C torsion angles being À6.1 (5), À4.8 (4) and 179.9 (3), respectively. Molecules are linked via C— HÁ Á ÁO interactions, forming chains propagating along [110]. Related literature For the synthesis of the title compound, see: Yang & Lu (2010). Monoclinic, P21 a = 3.9920 (8) Ab = 7.3670 (15) Ac = 20.885 (4) A = 94.87 (3) V = 612.0 (2) A 3
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