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

 
: Wahedy, K.; Thaher, B.A.; Schollmeyer, D.; Almasri, I.; Morjan, R.; Qeshta, B.; Deigner, H.P.

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Acta crystallographica. Section E, Crystallographic communications 73 (2017), pp.1341-1343
ISSN: 2056-9890
English
Journal Article, Electronic Publication
Fraunhofer IZI ()

Abstract
The side product of the cyclo­condensation reaction between ethyl benzimidazole-2-carboxyl­ate 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 bromo­phenyl 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 inter­actions.

: http://publica.fraunhofer.de/documents/N-470778.html