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纯的3-(4-溴-2-氯苯基)-1-(吡啶-4-基)苯并[4,5]咪唑并[1,2-][1,2,4]三嗪-4(3)-酮以及被3-(4-溴苯基)-1-(吡啶-4-基)苯并[4,5]咪唑并[1,2-][1,2,4]三嗪-4(3)-酮污染后的晶体结构。

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

作者信息

Wahedy Kanan, Abu Thaher Bassam, Schollmeyer Dieter, Almasri Ihab, Morjan Rami, Qeshta Basem, Deigner Hans-Peter

机构信息

Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Alazhar University-Gaza, Gaza Strip, Palestinian Territories.

Faculty of Science, Chemistry Department, Islamic University of Gaza Strip, Gaza Strip, Palestinian Territories.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Aug 15;73(Pt 9):1341-1343. doi: 10.1107/S2056989017011732. eCollection 2017 Sep 1.

DOI:10.1107/S2056989017011732
PMID:28932470
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5588576/
Abstract

The side product of the cyclo-condensation reaction between ethyl benzimidazole-2-carboxyl-ate and the nitrile imine of the corresponding hydrazonyl chloride, CHBrClNO, crystallized in two crystal forms. Form () 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, CHBrNO·0.143CHBrClNO. () contains the pure side product. The slightly different conformation of the ring systems leads to a different packing of () and (), but both crystal structures are dominated by π-π inter-actions.

摘要

苯并咪唑 -2- 羧酸乙酯与相应的肼基氯腈亚胺（CHBrClNO）之间的环缩合反应的副产物以两种晶体形式结晶。晶型（）是目标化合物（无任何氯取代基）与在溴苯基的 2 位含有一个 Cl 原子的副产物的共晶体，CHBrNO·0.143CHBrClNO。（）包含纯副产物。环系统略有不同的构象导致（）和（）的堆积方式不同，但两种晶体结构均以 π - π 相互作用为主导。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed9/5588576/1de0db0f627d/e-73-01341-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed9/5588576/73a75d4e5570/e-73-01341-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed9/5588576/1de0db0f627d/e-73-01341-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed9/5588576/73a75d4e5570/e-73-01341-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed9/5588576/1de0db0f627d/e-73-01341-fig2.jpg

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