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5,6,7,8-四氢喹啉1-氧化物半水合物

5,6,7,8-Tetra-hydro-quinoline 1-oxide hemihydrate.

作者信息

Karczmarzyk Zbigniew, Lipińska Teodozja M, Wysocki Waldemar, Urbańczyk-Lipkowska Zofia, Kalicki Przemysław

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 13;66(Pt 4):o806-7. doi: 10.1107/S1600536810008779.

DOI:10.1107/S1600536810008779
PMID:21580641
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2984073/
Abstract

In the title compound, C(9)H(11)NO·0.5H(2)O, the asymmetric unit contains two similar mol-ecules of 5,6,7,8-tetra-hydro-quinoline 1-oxide and one water mol-ecule. The water mol-ecule links the two O atoms of both independent N-oxides into dimers via O-H⋯O hydrogen bonds, forming a three-dimensional network along [101], which is additionally stabilized by weak C-H⋯O inter-molecular inter-actions. In each mol-ecule, the saturated six-membered rings exist in a conformation inter-mediate between a half-chair and sofa.

摘要

在标题化合物C₉H₁₁NO·0.5H₂O中，不对称单元包含两个相似的5,6,7,8-四氢喹啉1-氧化物分子和一个水分子。水分子通过O—H⋯O氢键将两个独立N-氧化物的两个O原子连接成二聚体，沿[101]形成三维网络，该网络还通过弱C—H⋯O分子间相互作用得到稳定。在每个分子中，饱和六元环以介于半椅式和沙发式之间的构象存在。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/96ad/2984073/d2ae9f8d6c77/e-66-0o806-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/96ad/2984073/acd27f9eac20/e-66-0o806-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/96ad/2984073/d2ae9f8d6c77/e-66-0o806-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/96ad/2984073/acd27f9eac20/e-66-0o806-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/96ad/2984073/d2ae9f8d6c77/e-66-0o806-fig2.jpg

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