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Honeycomb molecular network based upon a hydrate of 4,6‐dichlororesorcinol and the photoproduct rtct‐tetrakis(pyridin‐4‐yl)cyclobutane
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2021-01-22 , DOI: 10.1107/s2053229621000590
Carlos L. Santana , Jessica D. Battle , Daniel K. Unruh , Ryan H. Groeneman

The formation of a self‐interpenetrated honeycomb molecular network based upon 4,6‐dichlororesorcinol (4,6‐diCl res), a water molecule, and the photoproduct rtct‐tetrakis(pyridin‐4‐yl)cyclobutane (rtct‐TPCB) is reported. Interestingly, only three of the four pyridine rings on the central cyclobutane ring are found to engage in O—H…N hydrogen bonds with either the 4,6‐diCl res or an included water molecule, resulting in a three‐connected net. Notably, the solid (4,6‐diCl res)·(rtct‐TPCB)·(H2O), C6H4Cl2O2·C24H20N4·H2O, contains channels that run along the crystallographic b axis, which are found to be interpenetrated. Although rtct‐TPCB has been employed as a bridging ligand in the formation of numerous metal–organic materials, surprisingly neither the single‐component X‐ray structure nor any multi‐component molecular solids based upon this stereoisomer have been reported previously. Lastly, the single‐crystal X‐ray structure of the photoproduct rtct‐TPCB is also reported.

中文翻译:

基于4,6-二氯间苯二酚水合物和光产物rtct-四(吡啶-4-基)环丁烷的蜂窝分子网络

基于4,6- dichlororesorcinol(自互穿蜂窝分子网络的形成4,6- DICL RES),一个水分子,和光化产物RTCT N'-四(吡啶-4-基)环丁烷(RTCT -TPCB)是报告。有趣的是,发现中央环丁烷环上的四个吡啶环中只有三个与4,6-diCl res或所包含的水分子发生O-H…N氢键,形成了三连接的网。值得注意的是,固体(4,6-diCl res)·(rtct -TPCB)·(H 2 O),C 6 H 4 Cl 2 O 2 ·C 24H 20 N 4 ·H 2 O包含沿结晶b轴延伸的通道,这些通道被发现是互穿的。尽管rtct- TPCB在许多金属有机材料的形成中被用作桥联配体,但令人惊讶的是,以前尚未报道过基于该立体异构体的单组分X射线结构或任何多组分分子固体。最后,还报道了光产品rtct- TPCB的单晶X射线结构。
更新日期:2021-02-05
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