Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)


organic compounds



ld2039 scheme

Acta Cryst. (2012). E68, o179    [ doi:10.1107/S1600536811052986 ]

5-(3,4-Dimethoxybenzylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

M. Gohain, T. J. Muller and B. C. B. Bezuidenhoudt

Abstract: In the title compound, C15H16N2O5, the dihedral angle between 1,3-diazinane and benzene rings is only 4.27 (1)°. The essentially planar molecular structure is characterized by a short intramolecular C-H...O separation and by an exceptionally large bond angle of 138.25 (14)° at the bridging methine C atom. The methoxy groups deviate somewhat from the plane of the benzene ring, with C-C-O-C torsion angles of -15.6 (1) and 9.17 (6)°. In the crystal, molecules form centrosymmetric dimers via donor-acceptor [pi]-[pi] interactions, with a centroid-centroid distance of 3.401 (1) Å.


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