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C-甲基杯[4]间苯二酚芳烃-1,4-双-(吡啶-3-基)-2,3-二氮杂-1,3-丁二烯(1/2)

C-Methyl-calix[4]resorcinarene-1,4-bis-(pyridin-3-yl)-2,3-diaza-1,3-butadiene (1/2).

作者信息

Udachin Konstantin A, Zaman Md Badruz, Ripmeester John A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o261-2. doi: 10.1107/S1600536811054717. Epub 2012 Jan 7.

Abstract

In the title compound, 2C(12)H(10)N(4)·C(32)H(32)O(8), the calixarene adopts a rctt conformation with dihedral angles of 138.40 (1) and 9.10 (1)° between the opposite rings. The dihedral angles between the rings of the pyridine derivative are 8.80 (1) and 9.20 (1)°. In the crystal, adjacent C-methylcalix[4]resorcinarene molecules are connected into columns parallel to [010] by O-H⋯O hydrogen bonds. O-H⋯N hydrogen bonds between the axial phenoxyl groups and bipyridine molecules link the columns into sheets parallel to (011), which are connected by O-H⋯N hydrogen bonds. Further O-H⋯N hydrogen bonds link the bipyridine and C-methylcalix[4]resorcinarene molecules, giving rise to a three-dimensional network.

摘要

在标题化合物2C₁₂H₁₀N₄·C₃₂H₃₂O₈中,杯芳烃采取rctt构象,相对的环之间的二面角为138.40 (1)°和9.10 (1)°。吡啶衍生物的环之间的二面角为8.80 (1)°和9.20 (1)°。在晶体中,相邻的C-甲基杯[4]间苯二酚芳烃分子通过O-H⋯O氢键连接成平行于[010]的柱。轴向苯氧基与联吡啶分子之间的O-H⋯N氢键将柱连接成平行于(011)的片层,这些片层通过O-H⋯N氢键相连。进一步的O-H⋯N氢键连接联吡啶和C-甲基杯[4]间苯二酚芳烃分子,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0e69/3274953/4ee26a36c9b5/e-68-0o261-fig1.jpg

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