T. Steiner et al., WEAK HYDROGEN-BONDING .3. A BENZYL GROUP ACCEPTING EQUALLY STRONG HYDROGEN-BONDS FROM O-H AND C-H DONORS - 5-ETHYNYL-5H-DIBENZO[A,D]CYCLOHEPTEN-5-OL, Perkin transactions. 2, (1), 1996, pp. 67-71
In the crystal structure of the title compound, one of the benzyl grou
ps accepts hydrogen bonds from a hydroxy and an ethynyl group, one to
each face of the ring. For both hydrogen bonds, energies around -1.3 k
cal mol(-1) have been calculated. The bond donated by the hydroxy grou
p has unusual geometry and is directed almost linearly at a C atom wit
h H...C = 2.36 Angstrom.