Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



gk2582 scheme

Acta Cryst. (2013). E69, o1140    [ doi:10.1107/S1600536813016851 ]

2-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidine

C. Wu, J. Li, H. Wei, Y. Hang and Y. Jiang

Abstract: In the title compound, C16H18N4O2, known also as peribedil, the dihedral angle between the mean planes of the pyrimidine and benzene rings is 56.5 (8)°. The 1,3-dioxole fragment adopts an envelope conformation with the methylene C atom forming the flap; this atom deviates by 0.232 (3) Å from the plane defined by the remaining atoms of the 1,3-benzodioxole unit. In the crystal, C-H...[pi] interactions between c-glide-related molecules arrange them into columns extending along the c-axis direction. The columns related by a unit translation along the b axis are packed into (100) layers via another C-H...[pi] interaction involving the pyrimidine ring as an acceptor.


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