Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 10 (October 2013)


organic compounds



hg5347 scheme

Acta Cryst. (2013). E69, o1577-o1578    [ doi:10.1107/S1600536813025774 ]

tert-Butyl 4-{[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]methyl}piperazine-1-carboxylate

N. N. Gajera, M. C. Patel, M. M. Jotani and E. R. T. Tiekink

Abstract: In the title compound, C20H27N5O3, the central piperazine ring adopts a chair conformation, with the N-bound carboxylate and methylene substituents occupying bisectional and equatorial orientations, respectively. A twist is evident between the aromatic rings [dihedral angle = 25.61 (9)°] but an intramolecular O-H...N hydrogen bond persists between these. Supramolecular tapes along [1-10] are formed in the crystal packing through N(amino)-H...O(hydroxyl) and N(amino)-H...N(pyrimidinyl) hydrogen bonds, and these are linked into layers in the ab plane by [pi]-[pi] interactions [inter-centroid distance between pyrimidinyl rings = 3.5919 (9) Å].


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