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

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

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...

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Main Authors: Kanan Wahedy, Bassam Abu Thaher, Dieter Schollmeyer, Ihab Almasri, Rami Morjan, Basem Qeshta, Hans-Peter Deigner
Format: Article
Language:English
Published: International Union of Crystallography 2017-09-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
4-bromo-2-chlorophenyl
pyridine
benzoimidazole
1,2,4-triazinone
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989017011732
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spelling doaj-0f1f129ff07240c689b3eae17f4fc5a92020-11-24T21:35:52ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-09-017391341134310.1107/S2056989017011732bt6995Crystal 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)-oneKanan Wahedy0Bassam Abu Thaher1Dieter Schollmeyer2Ihab Almasri3Rami Morjan4Basem Qeshta5Hans-Peter Deigner6Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Alazhar University-Gaza, Gaza Strip, Palestinian TerritoriesFaculty of Science, Chemistry Department, Islamic University of Gaza Strip, Gaza Strip, Palestinian TerritoriesDepartment of Organic Chemistry, Johannes Gutenberg-University Mainz, Duesbergweg 10-14, 55099 Mainz, GermanyFaculty of Pharmacy, Department of Pharmaceutical Chemistry, Alazhar University-Gaza, Gaza Strip, Palestinian TerritoriesFaculty of Science, Chemistry Department, Islamic University of Gaza Strip, Gaza Strip, Palestinian TerritoriesFaculty of Science, Chemistry Department, Islamic University of Gaza Strip, Gaza Strip, Palestinian TerritoriesHochschule Furtwangen (HFU), Fakultät Medical and Life Sciences, Jakob-Kienzle Strasse 17, 78054 Villingen-Schwenningen, GermanyThe 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://scripts.iucr.org/cgi-bin/paper?S2056989017011732crystal structure4-bromo-2-chlorophenylpyridinebenzoimidazole1,2,4-triazinone
collection DOAJ
language English
format Article
sources DOAJ
author Kanan Wahedy
Bassam Abu Thaher
Dieter Schollmeyer
Ihab Almasri
Rami Morjan
Basem Qeshta
Hans-Peter Deigner
spellingShingle Kanan Wahedy
Bassam Abu Thaher
Dieter Schollmeyer
Ihab Almasri
Rami Morjan
Basem Qeshta
Hans-Peter Deigner
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
Acta Crystallographica Section E: Crystallographic Communications
crystal structure
4-bromo-2-chlorophenyl
pyridine
benzoimidazole
1,2,4-triazinone
author_facet Kanan Wahedy
Bassam Abu Thaher
Dieter Schollmeyer
Ihab Almasri
Rami Morjan
Basem Qeshta
Hans-Peter Deigner
author_sort Kanan Wahedy
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
title_short 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_sort 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
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2017-09-01
description 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.
topic crystal structure
4-bromo-2-chlorophenyl
pyridine
benzoimidazole
1,2,4-triazinone
url http://scripts.iucr.org/cgi-bin/paper?S2056989017011732
work_keys_str_mv AT kananwahedy crystalstructuresofpure34bromo2chlorophenyl1pyridin4ylbenzo45imidazo12d124triazin43honeandcontaminatedwith34bromophenyl1pyridin4ylbenzo45imidazo12d124triazin43hone
AT bassamabuthaher crystalstructuresofpure34bromo2chlorophenyl1pyridin4ylbenzo45imidazo12d124triazin43honeandcontaminatedwith34bromophenyl1pyridin4ylbenzo45imidazo12d124triazin43hone
AT dieterschollmeyer crystalstructuresofpure34bromo2chlorophenyl1pyridin4ylbenzo45imidazo12d124triazin43honeandcontaminatedwith34bromophenyl1pyridin4ylbenzo45imidazo12d124triazin43hone
AT ihabalmasri crystalstructuresofpure34bromo2chlorophenyl1pyridin4ylbenzo45imidazo12d124triazin43honeandcontaminatedwith34bromophenyl1pyridin4ylbenzo45imidazo12d124triazin43hone
AT ramimorjan crystalstructuresofpure34bromo2chlorophenyl1pyridin4ylbenzo45imidazo12d124triazin43honeandcontaminatedwith34bromophenyl1pyridin4ylbenzo45imidazo12d124triazin43hone
AT basemqeshta crystalstructuresofpure34bromo2chlorophenyl1pyridin4ylbenzo45imidazo12d124triazin43honeandcontaminatedwith34bromophenyl1pyridin4ylbenzo45imidazo12d124triazin43hone
AT hanspeterdeigner crystalstructuresofpure34bromo2chlorophenyl1pyridin4ylbenzo45imidazo12d124triazin43honeandcontaminatedwith34bromophenyl1pyridin4ylbenzo45imidazo12d124triazin43hone
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