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Crystal structure of 2-amino-4,6-di-meth-oxy-pyrimidinium thio-phene-2-carboxyl-ate.

ABSTRACT: In the title salt, C6H10N3O2 (+)·C5H3O2S(-), the 2-amino-4,6-di-meth-oxy-pyrimidinium cation inter-acts with the carboxyl-ate group of the thio-phene-2-carboxyl-ate anion through a pair of N-H⋯O hydrogen bonds, forming an R 2 (2)(8) ring motif. These motifs are centrosymmetrically paired via N-H⋯O hydrogen bonds, forming a complementary DDAA array. The separate DDAA arrays are linked by π-π stacking inter-actions between the pyrimidine rings, as well as by a number of weak C-H⋯O and N-H⋯O inter-actions. In the anion, the dihedral angle between the ring plane and the CO2 group is 11.60 (3)°. In the cation, the C atoms of methoxy groups deviate from the ring plane by 0.433 (10) Å.

SUBMITTER: Rajam A

PROVIDER: S-EPMC4518905 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of 2-amino-4,6-di-meth-oxy-pyrimidinium thio-phene-2-carboxyl-ate.

Rajam Ammaiyappan A Muthiah P T PT Butcher Ray J RJ Jasinski Jerry P JP

Acta crystallographica. Section E, Crystallographic communications 20150613 Pt 7

In the title salt, C6H10N3O2 (+)·C5H3O2S(-), the 2-amino-4,6-di-meth-oxy-pyrimidinium cation inter-acts with the carboxyl-ate group of the thio-phene-2-carboxyl-ate anion through a pair of N-H⋯O hydrogen bonds, forming an R 2 (2)(8) ring motif. These motifs are centrosymmetrically paired via N-H⋯O hydrogen bonds, forming a complementary DDAA array. The separate DDAA arrays are linked by π-π stacking inter-actions between the pyrimidine rings, as well as by a number of weak C-H⋯O and N-H⋯O inter- ...[more]

PMID: 26279918

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