98994-69-5Relevant academic research and scientific papers
Crystal engineering in the gem-alkynol family: Interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-trans-1,4-diethynylcyclohexa-2,5-diene-1,4-diols
Madhavi,Desiraju, Gautam R.,Bilton, Claire,Howard, Judith A. K.,Allen, Frank H.
, p. 1063 - 1070 (2000)
Structures of the title compounds are all mediated by strong cooperative arrangements of O - H...O hydrogen bonds, supported by a variety of weaker interactions which affect the type of O - H...O synthon that is formed. The tetrafluoro compound contains hexameric O - H...O synthons in a supramolecular chair conformation, together with C≡C -H...F interactions. However, the tetrachloro and tetrabromo compounds both form tetrameric O - H...O synthons. This dominant pattern is supported by halogen...halogen interactions having one C - Cl[Br]...Cl[Br] angle close to 180° and the other close to 90°, and by C≡C - H...Cl[Br] interactions.
