双(碘乙炔基)吡啶和双嘧啶炔共晶体中平面π-共轭薄片的形成：C-H--N 氢键和 sp-C-I-N 卤素键的协同作用。

IF 3.2 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Crystal Growth & Design Pub Date : 2024-11-07 eCollection Date: 2024-11-20 DOI:10.1021/acs.cgd.4c01264

Lydia B Lang, Nathan P Bowling, Eric Bosch

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引用次数: 0

摘要

本研究探讨了 2,5-、2,6-、3,5-双(碘乙炔基)吡啶与 1,2-双(5-嘧啶基)乙炔和 1,4-双(5-嘧啶基)丁炔这两种二嘧啶的二价卤键供体的共晶。这些共晶体的成分具有互补的形状和官能团，因此非共价的 C-I-N 卤素键和 C-H-N 氢键相互作用是互补的，从而形成了具有接受二价卤素键的双嘧啶的 1:1 共晶体。这种共晶体具有由交替的双（碘炔）和双嘧啶组成的π堆叠平面片，在一个方向上通过I--N卤素键结合在一起，在大致正交的方向上通过吡啶-吡啶和嘧啶-嘧啶C-H-N氢键结合在一起。

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Formation of Planar π-Conjugated Sheets in Cocrystals of Bis(iodoethynyl)pyridines and Bipyrimidylalkynes: Cooperative C-H···N Hydrogen Bonds and sp-C-I···N Halogen Bonds.

The cocrystallization of the ditopic halogen bond donors 2,5-, 2,6-, 3,5-bis(iodoethynyl)pyridines with the dipyrimidyls 1,2-bis(5-pyrimidyl)ethyne and 1,4-bis(5-pyrimidyl)butadiyne is explored. The cocrystal components have complementary shapes and functional groups so that the noncovalent C-I···N halogen bonding and C-H···N hydrogen bonding interactions are complementary resulting in 1:1 cocrystals with the ditopic halogen bond accepting bipyrimidyls. The cocrystals feature π-stacked planar sheets of alternating bis(iodoalkynes) and bipyrimidyls held together in one direction by I···N halogen bonds and in the roughly orthogonal direction by pyridine-pyridine and pyrimidine-pyrimidine C-H···N hydrogen bonds.

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来源期刊

Crystal Growth & Design 化学-材料科学：综合

CiteScore

6.30

自引率

10.50%

发文量

650

审稿时长

1.9 months

期刊介绍： The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials. Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.