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4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb-oxy-prop-2-enoate.

ABSTRACT: In the cation of the title salt, C8H13N4 (+)·C4H3O4 (-), the piperazinium ring adopts a slightly distorteded chair conformation. In the crystal, a single strong O-H?O inter-molecular hydrogen bond links the anions, forming chains along the c-axis direction. The chains of anions are linked by the cations, via N-H?O hydrogen bonds, forming sheets parallel to (100). These layers are linked by weak C-H?O hydrogen bonds, forming a three-dimensional structure. In addition, there are weak ?-? inter-actions [centroid-centroid distance = 3.820?(9)?Å] present involving inversion-related pyrimidine rings.

SUBMITTER: Yamuna TS

PROVIDER: S-EPMC4051061 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb-oxy-prop-2-enoate.

Yamuna Thammarse S TS Kaur Manpreet M Jasinski Jerry P JP Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20140524 Pt 6

In the cation of the title salt, C8H13N4 (+)·C4H3O4 (-), the piperazinium ring adopts a slightly distorteded chair conformation. In the crystal, a single strong O-H⋯O inter-molecular hydrogen bond links the anions, forming chains along the c-axis direction. The chains of anions are linked by the cations, via N-H⋯O hydrogen bonds, forming sheets parallel to (100). These layers are linked by weak C-H⋯O hydrogen bonds, forming a three-dimensional structure. In addition, there are weak π-π inter-act ...[more]

PMID: 24940275

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