Ethyl 7-oxo-7H-benzo[de]imidazo[5,1-a]iso-quinoline-11-carboxyl-ate-tri-fluoro-acetic acid (1/1).

ABSTRACT: The structure of the title tri-fluoro-acetic acid adduct, C17H12N2O3·C2HF3O2, contains a tri-fluoro-acetic acid mol-ecule hydrogen bonded to the imine N atom of the imidazole ring of a nearly planar four-fused-ring system (r.m.s. deviatiation = 0.013?Å). The carb-oxy-lic acid group of the triflouro-acetic acid mol-ecule is twisted with respect to the mean plane of the four-fused-ring sytem by 75.9?(2)°. A short intra-molecular C-H?O hydrogen bond occurs. In the crystal, the adduct mol-ecules are arranged into stacks along the b axis via ?-? inter-actions between imidazole rings and between imidazole and one of the benzene rings [centroid-centroid distances 3.352?(2) and 3.485?(2)?Å, respectively]. Molecules are linked via C-H?O hydrogen bonds, forming an alternating polymeric head-to-head/tail-to-tail stepped chain approximately along the a-axis direction and tilted on an axis bisecting the b and c axes.

SUBMITTER: Stibrany RT 

PROVIDER: S-EPMC3685112 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature