C-H...pi interactions in cocrystals of bis(trimethylsilyl)acetylene and diphenylacetylene with benzene.
We present here the crystal structures of two acetylene derivatives cocrystallized with benzene, namely bis(trimethylsilyl)acetylene benzene solvate, C(8)H(18)Si(2).C(6)H(6), (I), and diphenylacetylene benzene solvate, C(14)H(10).C(6)H(6), (II). In (I), both molecules belong to the symmetry point group C(2h) and are located about special positions with site symmetry 2/m. In (II), both molecules show crystallographic inversion symmetry. In both structures, there are C-H...pi contacts between aromatic H atoms and the pi-electrons of the triple bond. In addition to these, in (II) there are C-H...pi contacts between aromatic H atoms and the pi-electron cloud of the benzene molecules.
Meyer-Wegner
Frank
F
Institut für Anorganische Chemie der Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, D-60438 Frankfurt am Main, Germany.
Lerner
Hans Wolfram
HW
Bolte
Michael
M