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2-氯-1-[4-(2-氟苄基)哌嗪-1-基]乙酮

2-Chloro-1-[4-(2-fluoro-benz-yl)piperazin-1-yl]ethanone.

作者信息

Zhang Cunlong, Zhai Xin, Wan Furen, Gong Ping, Jiang Yuyang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 26;67(Pt 3):o708. doi: 10.1107/S1600536811006180.

DOI:10.1107/S1600536811006180
PMID:21522451
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052134/
Abstract

In the title compound, C(13)H(16)ClFN(2)O, the piperazine ring is flanked by 1-(2-fluoro-benz-yl)piperazine and adopts a chair conformation. The dihedral angle between the fluoro-phenyl ring and the four planar C atoms (r.m.s. = 0.0055 Å) of the piperazine chair is 78.27 (7)°, whereas the dihedral angle between the four planar C atoms of the piperazine chair and the ethanone plane is 55.21 (9) Å; the Cl atom displaced by1.589 (2) Å out of the plane.

摘要

在标题化合物C(13)H(16)ClFN(2)O中，哌嗪环两侧为1-(2-氟苄基)哌嗪，并呈椅式构象。氟苯环与哌嗪椅式结构的四个平面C原子（均方根偏差 = 0.0055 Å）之间的二面角为78.27 (7)°，而哌嗪椅式结构的四个平面C原子与乙酮平面之间的二面角为55.21 (9) Å；Cl原子偏离该平面1.589 (2) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed5/3052134/659359885b9c/e-67-0o708-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed5/3052134/ad3db7dc0fb0/e-67-0o708-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed5/3052134/659359885b9c/e-67-0o708-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed5/3052134/ad3db7dc0fb0/e-67-0o708-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ed5/3052134/659359885b9c/e-67-0o708-fig2.jpg

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本文引用的文献

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