Oxonium picrate.

ABSTRACT: The title compound, H(3)O(+)·C(6)H(2)N(3)O(7) (-), consists of one picrate anion and one oxonium cation. The oxonium cation is located on a crystallographic twofold axis and both its H atoms are disordered, each over two symmetry-equivalent positions with occupancy ratios of 0.75. The picrate anions are also located on twofold axes bis-ecting the phenolate and p-nitro groups. ?-? inter-actions between the rings of the picrates [centroid-to-centroid distances of 3.324?(2)?Å] connect the anions to form stacks along the a-axis direction. The stacks are further joined together by the protonated water mol-ecules through hydrogen bonds to form two-dimensional sheets extending parallel to the ab plane. The sheets are stacked on top of each other along the c-axis direction and connected through C-H?O inter-actions between the CH groups of the benzene rings and the picrate nitro groups, with C?O distances of 3.450?(2)?Å.

SUBMITTER: Jin SW 

PROVIDER: S-EPMC3151795 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature