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1-乙基-2-对甲苯磺酰基-4,4,6-三甲基-2,3,3a,4-四氢-1H-吡咯并[3,4-c]吡喃并[6,5-b]喹啉-11(6H)-酮一水合物

1-Ethyl-2-tosyl-4,4,6-trimethyl-2,3,3a,4-tetra-hydro-1H-pyrrolo[3,4-c]pyrano[6,5-b]quinoline-11(6H)-one monohydrate.

作者信息

Chinnakali K, Sudha D, Jayagobi M, Raghunathan R, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2099-100. doi: 10.1107/S1600536809030761.

DOI:10.1107/S1600536809030761
PMID:21577515
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970140/
Abstract

In the title compound, C(26)H(30)N(2)O(4)S·H(2)O, the pyrrolidine and dihydro-pyran rings adopt envelope conformations and they are cis-fused. The sulfonyl group has a distorted tetra-hedral geometry. In the crystal structure, the mol-ecules are linked into a ribbon-like structure along the a axis by O/C-H⋯O hydrogen bonds involving water mol-ecules and C-H⋯π inter-actions involving the sulfonyl-bound phenyl ring. Adjacent ribbons are cross-linked via C-H⋯O hydrogen bonds involving a sulfonyl O atom and C-H⋯π inter-actions involving the pyridinone ring.

摘要

在标题化合物C₂₆H₃₀N₂O₄S·H₂O中,吡咯烷环和二氢吡喃环呈信封式构象,且它们为顺式稠合。磺酰基具有扭曲的四面体几何构型。在晶体结构中,分子通过涉及水分子的O/C-H⋯O氢键以及涉及磺酰基连接的苯环的C-H⋯π相互作用,沿a轴连接成带状结构。相邻的带通过涉及磺酰基O原子的C-H⋯O氢键以及涉及吡啶酮环的C-H⋯π相互作用交联。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3231/2970140/6ddfb80e08fc/e-65-o2099-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3231/2970140/e0ffd0354eba/e-65-o2099-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3231/2970140/6ddfb80e08fc/e-65-o2099-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3231/2970140/e0ffd0354eba/e-65-o2099-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3231/2970140/6ddfb80e08fc/e-65-o2099-fig2.jpg

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