Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano-ate.

Acta Crystallogr Sect E Struct Rep Online

Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.

Published: September 2014

The title compound, C12H18N4O2, crystallizes in the zwitterionic form with protonation at the N atom of the piperazine ring bearing the carboxylate group. The piperazine ring adopts a slightly distorted chair conformation. In the crystal, N-H⋯O hydrogen bonds are observed, forming chains along [010]. The packing is consolidated by C-H⋯O inter-actions, which generate a three-dimensional network.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186175PMC
http://dx.doi.org/10.1107/S1600536814018972DOI Listing

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