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

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 inter-actions, which generate a three-dimensional network.

SUBMITTER: Yamuna TS

PROVIDER: S-EPMC4186175 | biostudies-other | 2014 Sep

REPOSITORIES: biostudies-other

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

Yamuna Thammarse S TS Jasinski Jerry P JP Kaur Manpreet M Anderson Brian J BJ Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20140830 Pt 9

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. ...[more]

PMID: 25309227

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