2-Amino-4-methyl-6-oxo-3,6-dihydro-pyrimidin-1-ium perchlorate-2-amino-6-methyl-pyrimidin-4(1H)-one-water (1/1/1).

ABSTRACT: In the title compound, C(5)H(8)N(3)O(+)·ClO(4) (-)·C(5)H(7)N(3)O·H(2)O, each perchlorate anion is paired with a protonated cationic 2-amino-6-methyl-pyrimidin-4(1H)-one and another non-protonated entity of the same organic pyrimidinone. The crystal structure is stabilized by N-H?O(org), N-H?O(water), N-H?O(ClO4), O-H?O(ClO4), N-H?N and C-H?O(ClO4) hydrogen bonds between the anions, organic entities and water mol-ecules. Inter-molecular ?-? stacking inter-actions between neighbouring organic rings are observed with a face-to-face distance of 3.776?(2)?Å, and O-H?O hydrogen bonds link the perchlorate anions and the water mol-ecules into chains along the b-axis direction. The perchlorate anion and the inter-stitial water mol-ecule are disordered over two mutually incompatible positions with a common occupancy ratio of 0.678?(16):0.322?(16).

SUBMITTER: Kaabi K 

PROVIDER: S-EPMC3200758 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature