Please use this identifier to cite or link to this item:
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
Version: Published version
Publication type: Zeitschriftenaufsatz
License: CC BY
Information on rights of use:
Journal: Acta crystallographica : Section E, Crystallographic communications
Pages or article number: 1341
Publisher: International Union of Crystallography
Publisher place: Chester
Issue date: 2017
ISSN: 2056-9890
Publisher URL:
Publisher DOI: 10.1107/S2056989017011732
Appears in collections:DFG-OA-Publizieren (2012 - 2017)

Files in This Item:
  File Description SizeFormat
crystal_structures_of_pure_34-20220925171423796.pdf448.01 kBAdobe PDFView/Open