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2-Amino-5-chloro-pyrimidin-1-ium hydrogen maleate.

ABSTRACT: In the title salt, C(4)H(5)ClN(3) (+)·C(4)H(3)O(4) (-), the 2-amino-5-chloro-pyrimidinium cation is protonated at one of its pyrimidine N atoms. In the roughly planar (r.m.s. deviation = 0.026?Å) hydrogen malate anion, an intra-molecular O-H?O hydrogen bond generates an S(7) ring. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pairs are connected via further N-H?O hydrogen bonds and a short C-H?O inter-action, forming layers lying parallel to the bc plane.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3254455 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

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2-Amino-5-chloro-pyrimidin-1-ium hydrogen maleate.

Fun Hoong-Kun HK Hemamalini Madhukar M Rajakannan Venkatachalam V

Acta crystallographica. Section E, Structure reports online 20111214 Pt 1

In the title salt, C(4)H(5)ClN(3) (+)·C(4)H(3)O(4) (-), the 2-amino-5-chloro-pyrimidinium cation is protonated at one of its pyrimidine N atoms. In the roughly planar (r.m.s. deviation = 0.026 Å) hydrogen malate anion, an intra-molecular O-H⋯O hydrogen bond generates an S(7) ring. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pair ...[more]

PMID: 22259394

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