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11-[(E)-亚苄基]-14-羟基-8-苯基-6-硫杂-3,13-二氮杂-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)-Benzyl-idene]-14-hy-droxy-8-phenyl-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):o2013-4. doi: 10.1107/S1600536812024270. Epub 2012 Jun 13.

DOI:10.1107/S1600536812024270
PMID:22807841
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393284/
Abstract

In the title compound, C(34)H(28)N(2)O(2)S, the piperidine ring adopts a chair conformation. One of the pyrrolidine rings adopts an envelope conformation with the methyl-ene C atom at the flap whereas the other pyrrolidine ring and the thia-zolidine ring adopt half-chair conformations. The mean plane of the dihydro-acenaphthyl-ene ring system [maximum deviation = 0.067 (1) Å] makes dihedral angles of 28.31 (5) and 31.32 (6)° with the two terminal benzene rings. An intra-molecular O-H⋯N hydrogen bond forms an S(5) ring motif. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯S hydrogen bonds into layers lying parallel to the ac plane.

摘要

在标题化合物C(34)H(28)N(2)O(2)S中，哌啶环呈椅式构象。其中一个吡咯烷环呈信封式构象，翼片处的亚甲基C原子位于该构象中，而另一个吡咯烷环和噻唑烷环呈半椅式构象。二氢苊烯环系的平均平面[最大偏差 = 0.067 (1) Å]与两个末端苯环形成的二面角分别为28.31 (5)°和31.32 (6)°。分子内O-H⋯N氢键形成一个S(5)环 motif。在晶体中，分子通过C-H⋯O和C-H⋯S氢键连接成平行于ac平面的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c152/3393284/803f370bcce4/e-68-o2013-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c152/3393284/5dc42b34118d/e-68-o2013-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c152/3393284/803f370bcce4/e-68-o2013-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c152/3393284/5dc42b34118d/e-68-o2013-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c152/3393284/803f370bcce4/e-68-o2013-fig2.jpg

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