Title of article :
Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane
Author/Authors :
Domasevitch, Kostiantyn V. Inorganic Chemistry Department - National Taras Shevchenko University of Kyiv, Ukraine , Degtyarenko, Anna S. Inorganic Chemistry Department - National Taras Shevchenko University of Kyiv, Ukraine
Abstract :
The title compound, C14H16, exhibits exceptionally weak intermolecular C—H⋯π hydrogen bonding of the ethynyl groups, with the corresponding H⋯π separations [2.91 (2) and 3.12 (2) Å] exceeding normal vdW distances. This bonding complements distal contacts of the CH (aliphatic)⋯π type [H⋯π = 3.12 (2)–3.14 (2) Å] to sustain supramolecular layers. Hirshfeld surface analysis of the title compound suggests a relatively limited significance of the C⋯H/H⋯C contacts to the crystal packing (24.6%) and a major contribution from H⋯H contacts accounting 74.9% to the entire surface.
Keywords :
crystal structure , C—H⋯π hydrogen bond , Hirschfeld surface analysis , terminal alkyne , adamantane
Journal title :
Acta Crystallographica Section E: Crystallographic Communications