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(E)-1-(呋喃-2-基)-3-(2,4,5-三甲氧基苯基)丙-2-烯-1-酮

(E)-1-(Furan-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

作者信息

Suwunwong Thitipone, Chantrapromma Suchada, Karalai Chatchanok, Wisitsak Pitikan, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o317-8. doi: 10.1107/S1600536812000037. Epub 2012 Jan 11.

DOI:10.1107/S1600536812000037
PMID:22346952
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3275007/
Abstract

In the title chalcone derivative, C(16)H(16)O(5), the dihedral angle between the furan and benzene rings is 2.06 (17)°. The two meth-oxy groups at the ortho and para positions are essentially coplanar with the benzene ring [C-O-C-C angles = -1.0 (5) and 178.5 (3)°], whereas the third one at the meta position is slightly twisted [C-O-C-C = 9.6 (5)°]. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into a sheet parallel to ([Formula: see text]02). An inter-molecular π-π inter-action between the furan and benzene rings is present [centroid-centroid distance = 3.772 (2) Å]. A short C⋯C contact [3.173 (5) Å] is also observed between neighbouring furan rings.

摘要

在标题查尔酮衍生物C(16)H(16)O(5)中,呋喃环与苯环之间的二面角为2.06 (17)°。邻位和对位的两个甲氧基与苯环基本共面[C-O-C-C角 = -1.0 (5)°和178.5 (3)°],而间位的第三个甲氧基则稍有扭曲[C-O-C-C = 9.6 (5)°]。在晶体中,弱的C-H⋯O相互作用将分子连接成平行于([化学式:见原文]02)的片层。呋喃环与苯环之间存在分子间π-π相互作用[质心-质心距离 = 3.772 (2) Å]。在相邻的呋喃环之间还观察到短的C⋯C接触[3.173 (5) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0713/3275007/fe66b94d0e4c/e-68-0o317-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0713/3275007/47afb596bd55/e-68-0o317-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0713/3275007/fe66b94d0e4c/e-68-0o317-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0713/3275007/47afb596bd55/e-68-0o317-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0713/3275007/fe66b94d0e4c/e-68-0o317-fig2.jpg

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