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7-溴-2-甲基-1-(苯基磺酰基)萘并[2,1-b]呋喃

7-Bromo-2-methyl-1-(phenyl-sulfon-yl)naphtho[2,1-b]furan.

作者信息

Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 30;64(Pt 5):o944. doi: 10.1107/S160053680801177X.

DOI:10.1107/S160053680801177X
PMID:21202425
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2961282/
Abstract

The title compound, C(19)H(13)BrO(3)S, was prepared by the oxidation of 7-bromo-2-methyl-1-(phenyl-sulfan-yl)naph-tho[2,1-b]furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 80.4 (2)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by aromatic π-π stacking inter-actions between the brominated benzene ring and the central benzene ring of the naphthofuran system of neighbouring mol-ecules; the centroid-centroid distances within the stack are 3.889 (3) and 3.981 (3) Å. In addition, the stacked mol-ecules exhibit C-H⋯π, inter- and intra-molecular C-H⋯O inter-actions.

摘要

标题化合物C(19)H(13)BrO(3)S是通过用3-氯过氧苯甲酸氧化7-溴-2-甲基-1-(苯硫基)萘并[2,1-b]呋喃制备的。苯环与萘并呋喃片段的平面形成80.4 (2)°的二面角。晶体结构通过相邻分子的萘并呋喃体系的溴化苯环与中心苯环之间的芳香π-π堆积相互作用得以稳定；堆积内的质心-质心距离为3.889 (3)和3.981 (3) Å。此外，堆积的分子表现出C-H⋯π、分子间和分子内C-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e48/2961282/6dc215388265/e-64-0o944-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e48/2961282/f59e5073ab1c/e-64-0o944-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e48/2961282/6dc215388265/e-64-0o944-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e48/2961282/f59e5073ab1c/e-64-0o944-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e48/2961282/6dc215388265/e-64-0o944-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2008 May 24;64(Pt 6):o1158. doi: 10.1107/S1600536808015286.