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2-Amino-4,6-dimethyl-pyrimidinium 3,5-dinitro-benzoate dihydrate.

ABSTRACT: In the title compound, C(6)H(10)N(3) (+)·C(7)H(3)N(2)O(6) (-)·2H(2)O, the amino-pyrimidine mol-ecule is protonated at one of the pyrimidine N atoms. The carboxyl-ate group of the 3,5-dinitro-benzoate anion inter-acts with the protonated pyrimidine N atom and the 2-amino group through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) motif. Two inversion-related pyrimidine rings are linked via a pair of N-H?N hydrogen bonds, also forming an R(2) (2)(8) ring motif.

SUBMITTER: Subashini A

PROVIDER: S-EPMC2960285 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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2-Amino-4,6-dimethyl-pyrimidinium 3,5-dinitro-benzoate dihydrate.

Subashini Annamalai A Muthiah Packianathan Thomas PT Lynch Daniel E DE

Acta crystallographica. Section E, Structure reports online 20080111 Pt 2

In the title compound, C(6)H(10)N(3) (+)·C(7)H(3)N(2)O(6) (-)·2H(2)O, the amino-pyrimidine mol-ecule is protonated at one of the pyrimidine N atoms. The carboxyl-ate group of the 3,5-dinitro-benzoate anion inter-acts with the protonated pyrimidine N atom and the 2-amino group through a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) motif. Two inversion-related pyrimidine rings are linked via a pair of N-H⋯N hydrogen bonds, also forming an R(2) (2)(8) ring motif. ...[more]

PMID: 21201453

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