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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 ?-? inter-actions.

SUBMITTER: Wahedy K 

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

REPOSITORIES: biostudies-literature

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

Wahedy Kanan K   Abu Thaher Bassam B   Schollmeyer Dieter D   Almasri Ihab I   Morjan Rami R   Qeshta Basem B   Deigner Hans-Peter HP  

Acta crystallographica. Section E, Crystallographic communications 20170815 Pt 9

The side product of the cyclo-condensation reaction between ethyl benzimidazole-2-carboxyl-ate and the nitrile imine of the corresponding hydrazonyl chloride, C<sub>20</sub>H<sub>11</sub>BrClN<sub>5</sub>O, crystallized in two crystal forms. Form (<b>1</b>) 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, C<sub>20</sub>H<sub>12</sub>BrN<sub>5</sub>O·0.143C<sub>20</sub>H<sub>11</sub>BrClN<sub  ...[more]

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