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1-(4-氰基-苯基-重氮-2-鎓-1-基)-2-萘酚盐

1-(4-Cyano-phenyl-diazen-2-ium-1-yl)-2-naphtholate.

作者信息

Yu Yan-Hong, Qian Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2033. doi: 10.1107/S1600536809028438.

DOI:10.1107/S1600536809028438
PMID:21583699
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977113/
Abstract

In the mol-ecule of the zwitterionic title compound, C(17)H(11)N(3)O, the naphthalene ring system is planar [maximum deviation = 0.029 (3) Å] and is oriented at a dihedral angle of 3.55 (3)° with respect to the benzene ring. An intra-molecular N-H⋯O hydrogen bond results in the formation of a planar six-membered ring. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers.

摘要

在两性离子标题化合物C(17)H(11)N(3)O的分子中,萘环体系是平面的[最大偏差 = 0.029 (3) Å],相对于苯环的二面角为3.55 (3)°。分子内N-H⋯O氢键导致形成一个平面六元环。在晶体结构中,分子间C-H⋯O相互作用将分子连接成中心对称的二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c6c/2977113/71121e630b22/e-65-o2033-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c6c/2977113/af975b0621aa/e-65-o2033-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c6c/2977113/71121e630b22/e-65-o2033-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c6c/2977113/af975b0621aa/e-65-o2033-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3c6c/2977113/71121e630b22/e-65-o2033-fig2.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
3
Regioselective complexation of metal ion in chromogenic calix[4]biscrowns.生色杯[4]双冠醚中金属离子的区域选择性络合作用
J Org Chem. 2004 Apr 16;69(8):2902-5. doi: 10.1021/jo049954o.