Crystal structure of 4-amino-5-chloro-2,6-dimethylpyrimidinium thiophene-2,5-dicarboxylate

Abstract

In the title salt, C6H9ClN3+·C6H3O4S−, the cations and anions are linked via O—H...O and N—H...O hydrogen bonds, forming R66(37) ring motifs that are interconnected with each other, producing sheets. Separate parallel inversion-related sheets are linked through N—H...N and π–π stacking interactions [centroid–centroid distance = 3.5414 (13) Å], forming double layers parallel to (101). Weak C—H...O and C—H...S hydrogen bonds, as well as C—H...π interactions, connect the double layers into a three-dimensional network.

Keywords

• crystal structure
• crystal salts
• hydrogen-bonding patterns
• base-pairing
• π–π stacking
• C—H...π interactions