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2-（2-羟基苯基）-1,3-苯并噻唑-6-甲醛

2-(2-Hy-droxy-phen-yl)-1,3-benzothia-zole-6-carbaldehyde.

作者信息

Chen Kew-Yu, Fang Tzu-Chien, Chang Ming-Jen, Tsai Hsing-Yang, Luo Ming-Hui

机构信息

Department of Chemical Engineering, Feng Chia University, 40724 Taichung, Taiwan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2862. doi: 10.1107/S1600536811040712. Epub 2011 Oct 8.

DOI:10.1107/S1600536811040712
PMID:22219902
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247597/
Abstract

The mol-ecule of the title compound, C(14)H(9)NO(2)S, is nearly planar, the maximum atomic deviation being 0.081 (2) Å. An intra-molecular O-H⋯N bond generates an S(6) ring motif. In the crystal, inversion-related mol-ecules linked by a pair of weak C-H⋯O hydrogen bonds form a supra-molecular dimer. π-π stacking is observed between the thia-zole and benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7679 (9) Å.

摘要

标题化合物C(14)H(9)NO(2)S的分子近乎平面，最大原子偏差为0.081 (2) Å。分子内的O-H⋯N键形成一个S(6)环 motif。在晶体中，通过一对弱C-H⋯O氢键相连的反演相关分子形成一个超分子二聚体。在相邻分子的噻唑环和苯环之间观察到π-π堆积，质心间距为3.7679 (9) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98ae/3247597/4c724ca27718/e-67-o2862-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98ae/3247597/1375e33227ab/e-67-o2862-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98ae/3247597/4c724ca27718/e-67-o2862-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98ae/3247597/1375e33227ab/e-67-o2862-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/98ae/3247597/4c724ca27718/e-67-o2862-fig2.jpg

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Benzothiazole-based fluorophores of donor-pi-acceptor-pi-donor type displaying high two-photon absorption.基于苯并噻唑的给体-π-受体-π-给体型荧光团，具有高双光子吸收。
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Excited-state intramolecular proton transfer of naphthalene-fused 2-(2'-hydroxyaryl)benzazole family.
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