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

Abstract

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.

Keywords

• crystal structure
• 3-(piperazin-1-ium-1-yl)butanoate
• zwitterionic form
• fused heterocyclic derivatives
• aza-Michael reactions