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5-[(E)-亚苄基]-2-羟基-10-甲基-8-苯基-3,10-二氮杂二十六环-[10.7.1.1.0.0.0]二十一碳-1(19),12(20),13,15,17-五烯-6-酮乙醇0.25溶剂合物0.6水合物

5-[(E)-Benzyl-idene]-2-hy-droxy-10-methyl-8-phenyl-3,10-diazahexa-cyclo-[10.7.1.1.0.0.0]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate.

作者信息

Kumar Raju Suresh, Osman Hasnah, Perumal Subbu, Hemamalini Madhukar, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 9;66(Pt 11):o2736-7. doi: 10.1107/S1600536810039310.

DOI:10.1107/S1600536810039310
PMID:21588944
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009066/
Abstract

In the title compound, C(33)H(28)N(2)O(2)·0.25C(2)H(6)O·0.6H(2)O, the piperidone ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the two phenyl rings is 70.83 (16)°. One of the N atoms of the organic mol-ecule is disordered over two positions in a 0.52 (4):0.48 (4) ratio and the two solvent mol-ecules are partially occupied and show high displacement parameters. In the crystal, mol-ecules are connected by inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.

摘要

在标题化合物C(33)H(28)N(2)O(2)·0.25C(2)H(6)O·0.6H(2)O中,哌啶酮环呈椅式构象,吡咯烷环呈信封式构象。两个苯环之间的二面角为70.83 (16)°。有机分子中的一个N原子在两个位置上无序分布,比例为0.52 (4):0.48 (4),两个溶剂分子部分占据,且位移参数较高。在晶体中,分子通过分子间的O-H⋯O和C-H⋯O氢键相连,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/3009066/6ae363616a27/e-66-o2736-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/3009066/592d9088b5df/e-66-o2736-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/3009066/6ae363616a27/e-66-o2736-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/3009066/592d9088b5df/e-66-o2736-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/71cc/3009066/6ae363616a27/e-66-o2736-fig2.jpg

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