ja074885r_si_002.cif (13.62 kB)
Nearly Isostructural Polymorphs of Ethynylbenzene: Resolution of ⋮CH···π(arene) and Cooperative ⋮CH···π(C⋮C) Interactions by Pressure Freezing
datasetposted on 2007-10-24, 00:00 authored by Kamil Dziubek, Marcin Podsiadło, Andrzej Katrusiak
In ethynylbenzene, elevated pressure favors cooperative ⋮CH···π(C⋮C) hydrogen bonds compared to ⋮CH···π(arene) and leads to the ordered polymorph nearly isostructural form with the crystals frozen by cooling. The high-pressure polymorph is more resistant to polymerization than the liquid and, in this respect, is a manifestation of Le Chatelier principle explained at the microscopic level for this compound. A new type of the polymorphic relation has been described.