Crystal structures of pure 3-(4-bromo-2-chloro-phen-yl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one and contaminated with 3-(4-bromo-phen-yl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one.

ABSTRACT: The side product of the cyclo-condensation reaction between ethyl benzimidazole-2-carboxyl-ate and the nitrile imine of the corresponding hydrazonyl chloride, C₂₀H₁₁BrClN₅O, crystallized in two crystal forms. Form (1) is a co-crystal of the target compound (without any chlorine substituent) and a side product containing a Cl atom in position 2 of the bromo-phenyl group, C₂₀H₁₂BrN₅O·0.143C₂₀H₁₁BrClN₅O. (2) contains the pure side product. The slightly different conformation of the ring systems leads to a different packing of (1) and (2), but both crystal structures are dominated by π-π inter-actions.

SUBMITTER: Wahedy K 

PROVIDER: S-EPMC5588576 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature