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Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule

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Abstract

A disubstituted adamantane derivative bearing chloropyrimidine units (1) was synthesized as an acyclic host molecule to construct guest-inclusion crystalline materials, and the molecular structures of these crystalline materials were determined by X-ray crystallographic analysis. The crystallization of 1 and trans-decahydronaphthalene (a) in chloroform afforded co-crystal (1a) with 2 : 1 host : guest complexation stoichiometry. The guest molecule was accommodated within the cavity of the cyclic dimers of 1 built from Cl⋯π interactions between the chloropyrimidine units. These complexes were assembled into network structures through intermolecular interactions. From the Hirshfeld surface analysis and the 2D fingerprint plot of a in co-crystal 1a, the maximum contribution is from the H⋯H contacts between 1 and a, indicating that the main driving force for the guest inclusion is dispersive force. Co-crystals containing cycloalkanes and cycloalkenes (b–f) and having the same stoichiometry were obtained under identical conditions. In all the co-crystals, the shapes and sizes of the cyclic dimers and the molecular networks were similar to those of crystal 1a, and the molecular structures of the guests were characterized.

Graphical abstract: Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule

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Publication details

The article was received on 22 Nov 2018, accepted on 27 Dec 2018 and first published on 10 Jan 2019


Article type: Paper
DOI: 10.1039/C8CE01990H
Citation: CrystEngComm, 2019, Advance Article
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    Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule

    T. Hyodo, M. Kawahata, Y. Hikami, A. Komatsu, M. Tominaga and K. Yamaguchi, CrystEngComm, 2019, Advance Article , DOI: 10.1039/C8CE01990H

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