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11-[(E)-2-氟亚苄基]-8-(2-氟苯基)-14-羟基-6-硫杂-3,13-二氮杂十七环-[13.7.1.1(9,13).0(2,9).0(2,14).0(3,7).0(19,23)]二十四碳-1(22),15(23),16,18,20-五烯-10-酮

11-[(E)-2-Fluoro-benzyl-idene]-8-(2-fluoro-phen-yl)-14-hy-droxy-6-thia-3,13-diaza-hepta-cyclo-[13.7.1.1(9,13).0(2,9).0(2,14).0(3,7).0(19,23)]tetra-cosa-1(22),15(23),16,18,20-pentaen-10-one.

作者信息

Kumar Raju Suresh, Osman Hasnah, Almansour Abdulrahman I, Arshad Suhana, Razak Ibrahim Abdul

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2094-5. doi: 10.1107/S1600536812025512. Epub 2012 Jun 13.

DOI:10.1107/S1600536812025512
PMID:22798773
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393908/
Abstract

In the title compound, C(34)H(26)F(2)N(2)O(2)S, an intra-molecular O-H⋯N hydrogen bond forms an S(5) ring motif. The piperidine ring adopts a chair conformation. The thia-zolidine ring and one of the pyrrolidine rings adopt envolope conformations with methyl-ene C atoms at the flap, whereas the other pyrrolidine ring adopts a half-chair conformation. The fluoro-substituted benzene rings form dihedral angles of 32.25 (10) and 38.27 (10)°, respectively, with the mean plane of the dihydro-acenaphthyl-ene ring system [maximum deviation = 0.043 (2) Å]. The dihedral angle between the fluoro-substituted benzene rings is 64.13 (14)°. In the crystal, mol-ecules are linked by weak C-H⋯O, C-H⋯F and C-H⋯S hydrogen bonds into a three-dimensional network.

摘要

在标题化合物C(34)H(26)F(2)N(2)O(2)S中,分子内O-H⋯N氢键形成一个S(5)环 motif。哌啶环呈椅式构象。噻唑烷环和其中一个吡咯烷环呈信封式构象,翼片处有亚甲基C原子,而另一个吡咯烷环呈半椅式构象。氟取代的苯环与二氢苊烯环系的平均平面分别形成32.25 (10)°和38.27 (10)°的二面角[最大偏差 = 0.043 (2) Å]。氟取代的苯环之间的二面角为64.13 (14)°。在晶体中,分子通过弱C-H⋯O、C-H⋯F和C-H⋯S氢键连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/554e/3393908/11feaabaed5e/e-68-o2094-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/554e/3393908/2eee215561b8/e-68-o2094-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/554e/3393908/11feaabaed5e/e-68-o2094-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/554e/3393908/2eee215561b8/e-68-o2094-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/554e/3393908/11feaabaed5e/e-68-o2094-fig2.jpg

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