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3-氯-5-氟水杨醛的晶体学和光谱表征

Crystallographic and spectroscopic characterization of 3-chloro-5-fluoro-salicyl-aldehyde.

作者信息

Triggs Christopher T, Tanski Joseph M

机构信息

Department of Chemistry, Vassar College, Poughkeepsie, NY 12604, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Nov 3;76(Pt 12):1810-1812. doi: 10.1107/S2056989020014425. eCollection 2020 Dec 1.

DOI:10.1107/S2056989020014425
PMID:33520258
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7784655/
Abstract

The title compound (systematic name: 3-chloro-5-fluoro-2-hy-droxy-benzaldehyde), CHClFO, is a dihalogenated salicyl-aldehyde derivative that has been studied for its anti-bacterial characteristics. The salicyl-aldehyde engages in intra-molecular hydrogen bonding with an O-H⋯O distance of 2.6231 (19) Å while the mol-ecules pack together weak inter-molecular C-H⋯O, C-H⋯F and F⋯O inter-actions and offset face-to-face π-stacking.

摘要

标题化合物(系统名称:3-氯-5-氟-2-羟基苯甲醛),CHClFO,是一种二卤代水杨醛衍生物,已对其抗菌特性进行了研究。水杨醛通过O-H⋯O距离为2.6231 (19) Å的分子内氢键结合,而分子通过弱的分子间C-H⋯O、C-H⋯F和F⋯O相互作用以及面对面的错位π堆积聚集在一起。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/40be/7784655/1936d7c80419/e-76-01810-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/40be/7784655/df65c7c7739c/e-76-01810-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/40be/7784655/4d86766e5dcd/e-76-01810-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/40be/7784655/1936d7c80419/e-76-01810-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/40be/7784655/df65c7c7739c/e-76-01810-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/40be/7784655/4d86766e5dcd/e-76-01810-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/40be/7784655/1936d7c80419/e-76-01810-fig3.jpg

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