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11-羟基-9-[1-(4-甲氧基苯基)-4-氧代-3-苯氧基氮杂环丁烷-2-基]-18-氧代-10-氧杂-2-氮杂五环-[9.7.0.0(1,8).0(2,6).0(12,17)]十八碳-12(17),13,15-三烯-8-羧酸甲酯

Methyl 11-hy-droxy-9-[1-(4-meth-oxy-phen-yl)-4-oxo-3-phen-oxy-azetidin-2-yl]-18-oxo-10-oxa-2-aza-penta-cyclo-[9.7.0.0(1,8).0(2,6).0(12,17)]octa-deca-12(17),13,15-triene-8-carboxyl-ate.

作者信息

Sundaramoorthy S, Rajesh R, Raghunathan R, Velmurugan D

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2200-1. doi: 10.1107/S1600536812027341. Epub 2012 Jun 23.

Abstract

In the title compound, C(34)H(32)N(2)O(8), one of the pyrrolidine rings in the pyrrolizidine ring system adopts a twist conformation, whereas the other ring adopts an envelope conformation (C atom as flap). The five-membered ring in the indene ring system and the fused furan ring also adopt envelope conformations (C and O atoms as flaps, respectively). The β-lactam ring makes dihedral angles of 23.41 (2) and 25.98 (2)°, respectively, with the attached meth-oxy-phenyl and phen-oxy rings. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond, generating an S(5) motif. In the crystal, mol-ecules are linked into C(12) chains running along the a axis by C-H⋯O hydrogen bonds. The structure is further consolidated by weak inter-molecular C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.7987 (14) Å].

摘要

在标题化合物C(34)H(32)N(2)O(8)中,吡咯里西啶环系中的一个吡咯烷环呈扭曲构象,而另一个环呈信封式构象(C原子为瓣)。茚环系中的五元环和稠合呋喃环也呈信封式构象(分别以C和O原子为瓣)。β-内酰胺环与相连的甲氧基苯基和苯氧基环分别形成23.41 (2)°和25.98 (2)°的二面角。分子构象通过分子内O—H⋯N氢键得以稳定,形成一个S(5)基序。在晶体中,分子通过C—H⋯O氢键连接成沿a轴延伸的C(12)链。结构通过弱的分子间C—H⋯π和π-π相互作用[质心-质心距离 = 3.7987 (14) Å]进一步巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61a9/3393998/4cabf2d8b4bb/e-68-o2200-fig1.jpg

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