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2 - [双(5 - 氯 - 2 - 吡啶基氨基)甲基]吡啶一水合物

2-[Bis(5-chloro-2-pyridylamino)methyl]pyridine monohydrate.

作者信息

M Boghaei Davar, Najafpour Mohammad Mahdi, McKee Vickie

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 22;64(Pt 12):o2428. doi: 10.1107/S1600536808035940.

DOI:10.1107/S1600536808035940
PMID:21581396
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960150/
Abstract

In the title compound, the dihedral angles between the 2-amino-5-chloro-pyridyl rings and the pyridine ring are 56.26 (6)° and 78.83 (5)°; the angle between the 2-amino-5-chloro-pyridyl rings is 72.42 (5)°. The solvent water mol-ecules are linked to the organic compound by N-H⋯O, O-H⋯O, N-H⋯N and O-H⋯N hydrogen bonds. π⋯π Stacking inter-actions are also observed between the 2-amino-5-chloro-pyridyl rings (centroid⋯centroid distance = 3.243 Å).

摘要

在标题化合物中,2-氨基-5-氯吡啶环与吡啶环之间的二面角分别为56.26 (6)°和78.83 (5)°;2-氨基-5-氯吡啶环之间的夹角为72.42 (5)°。溶剂水分子通过N-H⋯O、O-H⋯O、N-H⋯N和O-H⋯N氢键与有机化合物相连。在2-氨基-5-氯吡啶环之间也观察到π⋯π堆积相互作用(质心⋯质心距离 = 3.243 Å)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1305/2960150/35ac9ac5220c/e-64-o2428-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1305/2960150/f0b3a7e2c9d2/e-64-o2428-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1305/2960150/03013a730568/e-64-o2428-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1305/2960150/35ac9ac5220c/e-64-o2428-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1305/2960150/f0b3a7e2c9d2/e-64-o2428-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1305/2960150/03013a730568/e-64-o2428-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1305/2960150/35ac9ac5220c/e-64-o2428-fig3.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.
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First row divalent transition metal complexes of aryl-appended tris((pyridyl)methyl)amine ligands: syntheses, structures, electrochemistry, and hydroxamate binding properties.
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