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

By Thammarse S. Yamuna, Jerry P. Jasinski, Manpreet Kaur, Brian J. Anderson and H.S. Yathirajan


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 interactions, which generate a three-dimensional network

Topics: crystal structure, 3-(piperazin-1-ium-1-yl)butanoate, zwitterionic form, fused heterocyclic derivatives, aza-Michael reactions, Chemistry, QD1-999
Publisher: International Union of Crystallography
Year: 2014
DOI identifier: 10.1107/S1600536814018972
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