Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate

Author:

Rajam Ammaiyappan,Muthiah P.T.,Butcher Ray J.,Jasinski Jerry P.

Abstract

In the title salt, C6H10N3O2+·C5H3O2S, the 2-amino-4,6-dimethoxypyrimidinium cation interacts with the carboxylate group of the thiophene-2-carboxylate anion through a pair of N—H...O hydrogen bonds, forming anR22(8) ring motif. These motifs are centrosymmetrically pairedviaN—H...O hydrogen bonds, forming a complementaryDDAAarray. The separateDDAAarrays are linked by π–π stacking interactions between the pyrimidine rings, as well as by a number of weak C—H...O and N—H...O interactions. In the anion, the dihedral angle between the ring plane and the CO2group is 11.60 (3)°. In the cation, the C atoms of methoxy groups deviate from the ring plane by 0.433 (10) Å.

Publisher

International Union of Crystallography (IUCr)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Reference19 articles.

1. Agilent (2012). CrysAlis PRO and CrysAlis RED. Agilent Technologies Ltd, Yarnton, England.

2. Interaction of Protein Backbone with Nucleic Acid Bases

3. Desiraju, G. R. (1989). In Crystal Engineering: The Design of Organic Solids. Amsterdam: Elsevier.

4. OLEX2: a complete structure solution, refinement and analysis program

5. Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons

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