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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International Union of Crystallography
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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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