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

Abstract

The title compound, C 12 H 18 N 4 O 2 , 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-HÁ Á ÁO hydrogen bonds are observed, forming chains along [010]. The packing is consolidated by C-HÁ Á ÁO interactions, which generate a three-dimensional network.

The crystal structure of 1-(2-iodobenzoyl)-4-(pyrimidin-2-yl)piperazine: a three-dimensional hydrogen-bonded framework, augmented by π–π stacking interactions and I...N halogen bonds

“…and (x, 1 + y, z), respectively. (Yamuna et al, 2014a), the hydrogenfumarate (Yamuna et al, 2014b) and the butanoate (Yamuna et al, 2014c).…”

“…The I atoms marked with an asterisk (*), a hash (#) or a dollar sign ($) are at the symmetry positions ( 1 2 À x, 1 2 + y, 3 2 À z), ( 1 2 À x, À 1 2 + y, 3 2 À z) and (x, 1 + y, z), respectively. (Yamuna et al, 2014a), the hydrogenfumarate (Yamuna et al, 2014b) and the butanoate (Yamuna et al, 2014c).…”