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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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Supplementary files

Article information


Submitted
10 Jul 2012
Accepted
17 Oct 2012
First published
18 Oct 2012

CrystEngComm, 2013,15, 160-167
Article type
Paper

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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