2,6-Di-amino-4-chloro-pyrimidinium 4-carb-oxy-butano-ate.

ABSTRACT: In the title mol-ecular salt, C4H6ClN4 (+)·C5H7O4 (-), the cation is essentially planar, with a maximum deviation of 0.037?(1)?Å for all non-H atoms. The anions are self-assembled through O-H?O hydrogen bonds, forming a supra-molecular zigzag chain with graph-set notation C(8). 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 with an R 2 (2)(8) ring motif. This motif further self-organizes through N-H?O and O-H?O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R 3 (2)(8), R 2 (2)(8), R 4 (2)(8), R 2 (2)(8) and R 3 (2)(8). In addition, another type of R 2 (2)(8) motif is formed by inversion-related pyrimidinium cations via N-H?N hydrogen bonds, forming a two-dimensional network parallel to (101).

SUBMITTER: Edison B 

PROVIDER: S-EPMC4158549 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature