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The role of intermolecular H···H and C···H interactions in the ordering of [2.2]paracyclophane at 100 K: estimation of the sublimation energy from the experimental electron density function

K. A. Lyssenko, A. A. Korlyukov, M. Yu. Antipin

A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russian Federation

Abstract: The intermolecular interactions responsible for the ordering of the [2.2]paracyclophane molecule in a crystal at 100 K have been found out and their strengths and the lattice energy have been estimated on the basis of a high resolution X-ray diffraction study and plane-wave DFT calculations.

Language: English

DOI: 10.1070/MC2005v015n03ABEH002090

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