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Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate.

ABSTRACT: The title salts, C8H13N4 (+)·Cl(-), (I), and C8H13N4 (+)·NO3 (-), (II), contain linked pyridinium-piperazine heterocycles. In both salts, the piperazine ring adopts a chair conformation with protonation at the N atom not linked to the other ring. In the crystal of (I), weak N-H?Cl inter-actions are observed, leading to zigzag chains along [100]. In the crystal of (II), both H atoms on the NH2 (+) group form bifurcated N-H?(O,O) hydrogen bonds. Weak C-H?O inter-actions are also observed. These bonds collectively link the components into infinite chains along [100].

SUBMITTER: Yamuna TS

PROVIDER: S-EPMC4257175 | biostudies-other | 2014 Oct

REPOSITORIES: biostudies-other

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Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate.

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 20140913 Pt 10

The title salts, C8H13N4 (+)·Cl(-), (I), and C8H13N4 (+)·NO3 (-), (II), contain linked pyridinium-piperazine heterocycles. In both salts, the piperazine ring adopts a chair conformation with protonation at the N atom not linked to the other ring. In the crystal of (I), weak N-H⋯Cl inter-actions are observed, leading to zigzag chains along [100]. In the crystal of (II), both H atoms on the NH2 (+) group form bifurcated N-H⋯(O,O) hydrogen bonds. Weak C-H⋯O inter-actions are also observed. These bo ...[more]

PMID: 25484652

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