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2,4-Diamino-5-(4-chloro-phen-yl)-6-ethyl-pyrimidin-1-ium 2-propanamido-benzoate. | LitMetric

2,4-Diamino-5-(4-chloro-phen-yl)-6-ethyl-pyrimidin-1-ium 2-propanamido-benzoate.

Acta Crystallogr Sect E Struct Rep Online

Department of Advanced Technology Fusion, Konkuk University, 1 Hwayang-dong, Gwangjin-gu, Seoul 143 701, Republic of Korea.

Published: October 2011

In the title salt, C(12)H(14)ClN(4) (+)·C(10)H(10)NO(3) (-), zwitterionic N-H⋯O inter-actions form an R(2) (2)(8) ring. The crystal structure is stabilized by N-H⋯O and N-H⋯N hydrogen bonds involving two different eight-membered rings. An N-H⋯O inter-action occurs between the pyrimidine ring (donor) and carboxyl-ate group (acceptor) while the other ring is formed by N-H⋯N inter-actions, which form a dimer between two symmetry-related salts. An intra-molecular N-H⋯O hydrogen bond forms a six-membered ring in the benzoate. Inter-molecular C-H⋯O inter-actions are also observed.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201463PMC
http://dx.doi.org/10.1107/S1600536811035501DOI Listing

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