Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane
Copyright policy )Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane
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.
crystal structure, Crystallography, QD901-999, hirschfeld surface analysis, adamantane, terminal alkyne, c—h...π hydrogen bond, Research Communications
crystal structure, Crystallography, QD901-999, hirschfeld surface analysis, adamantane, terminal alkyne, c—h...π hydrogen bond, Research Communications
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