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二乙基 2,2'-[((1E,1'E)-{[(1R,4R)-环己烷-1,4-二基]双-(氮杂亚烷基)}双-(亚甲基))双-(1H-吡咯-2,1-二基)]二乙酸酯的晶体结构

Crystal structure of diethyl 2,2'-[((1E,1'E)-{[(1R,4R)-cyclo-hexane-1,4-di-yl]bis-(aza-nylyl-idene)}bis-(methanylyl-idene))bis-(1H-pyrrole-2,1-di-yl)]di-acetate.

作者信息

Alshawi Jasim, Yousif Muoayed, Zangana Karzan H, Vitorica Yrezabal Inigo J, Winpenny Richard, Al-Jeboori Mohamad J

机构信息

Department of Chemistry, College of Education for Pure Science, University of Basrah, Iraq.

School of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL, England.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Feb 13;71(Pt 3):o165-6. doi: 10.1107/S2056989015002674. eCollection 2015 Mar 1.

DOI:10.1107/S2056989015002674
PMID:25844229
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4350751/
Abstract

The whole mol-ecule of the title compound, C24H32N4O4, is generated by inversion symmetry. The cyclo-hexane ring adopts a chair conformation and the conformation about the C=N bonds is E. The pyrrole rings have an anti confirmation with respect to the cyclo-hexane moiety and the ethyl acetate groups have extended conformations. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds forming chains, enclosing R 2 (2)(10) ring motifs with inversion symmetry, propagating parallel to the (101) plane.

摘要

标题化合物C24H32N4O4的整个分子通过反演对称性产生。环己烷环呈椅式构象,C=N键的构象为E型。吡咯环相对于环己烷部分呈反式构象,乙酸乙酯基团呈伸展构象。在晶体中,分子通过成对的C-H⋯O氢键相连形成链,形成具有反演对称性的R 2 (2)(10)环基序,平行于(101)平面延伸。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/74cf/4350751/4a5e842be412/e-71-0o165-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/74cf/4350751/cd487b1a3dba/e-71-0o165-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/74cf/4350751/4a5e842be412/e-71-0o165-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/74cf/4350751/cd487b1a3dba/e-71-0o165-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/74cf/4350751/4a5e842be412/e-71-0o165-fig2.jpg

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