Authors:	Wahedy, Kanan Abu Thaher, Bassam Schollmeyer, Dieter Almasri, Ihab Morjan, Rami Qeshta, Basem Deigner, Hans-Peter
Title:	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
Online publication date:	18-Oct-2022
Year of first publication:	2017
Language:	english
Abstract:	The side product of the cyclo­condensation reaction between ethyl benzimidazole-2-carboxyl­ate and the nitrile imine of the corresponding hydrazonyl chloride, C(20)H(11)BrClN(5)O, 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, C(20)H(12)BrN(5)O·0.143C(20)H(11)BrClN(5)O. (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.
DDC:	540 Chemie 540 Chemistry and allied sciences
Institution:	Johannes Gutenberg-Universität Mainz
Department:	FB 09 Chemie, Pharmazie u. Geowissensch.
Place:	Mainz
ROR:	https://ror.org/023b0x485
DOI:	http://doi.org/10.25358/openscience-8094
Version:	Published version
Publication type:	Zeitschriftenaufsatz
License:	CC BY
Information on rights of use:	https://creativecommons.org/licenses/by/2.0/uk/
Journal:	Acta crystallographica : Section E, Crystallographic communications 73 9
Pages or article number:	1341 1343
Publisher:	International Union of Crystallography
Publisher place:	Chester
Issue date:	2017
ISSN:	2056-9890
Publisher URL:	http://dx.doi.org/10.1107/S2056989017011732
Publisher DOI:	10.1107/S2056989017011732
Appears in collections:	DFG-OA-Publizieren (2012 - 2017)