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Issue 1, 2013
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Supramolecular architecture of molecular crystals possessing shearing mechanical properties: columns versus layers

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Abstract

The supramolecular architectures of crystals of substituted benzenes possessing shearing mechanical properties have been analyzed from the viewpoint of energy of intermolecular interactions. It is demonstrated that suggested earlier layered structure of these crystals do not correspond to the character of intermolecular interactions. Analysis of the topology of intermolecular interactions indicates that the crystals have a columnar supramolecular architecture with weak interactions between the columns. The presence of shearing mechanical properties is caused by localization of intercolumnar interactions within some layers and a relatively small (less than 12 kcal mol−1) barrier of shift of molecules within this layer.

Graphical abstract: Supramolecular architecture of molecular crystals possessing shearing mechanical properties: columns versus layers

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Publication details

The article was received on 10 Jul 2012, accepted on 17 Oct 2012 and first published on 18 Oct 2012


Article type: Paper
DOI: 10.1039/C2CE26126J
Citation: CrystEngComm, 2013,15, 160-167
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    Supramolecular architecture of molecular crystals possessing shearing mechanical properties: columns versus layers

    O. V. Shishkin, V. V. Medvediev and R. I. Zubatyuk, CrystEngComm, 2013, 15, 160
    DOI: 10.1039/C2CE26126J

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