Hydrogen bonding and C-H.O interactions in 4-phenanthrenemethanol at 150 K
The title compound, C(15)H(12)O, crystallizes in the centrosymmetric space group I4(1)/a with one molecule in the asymmetric unit. In the single hydrogen bond, the H atom is ordered, the O(D).O(A) distance is 2.788 (1) A and the O-H.O angle is 176 (1) degrees. Each hydroxyl group forms hydrogen bonds with two other hydroxyl groups and the resulting chains of interactions, in four non-linked subsets of molecules, propagate along [001]. The single leading intermolecular C-H.O interaction has an H.O distance of 2.81 A and a C-H.O angle of 140 degrees; the single leading intramolecular C-H.O interaction has an H.O distance of 2.24 A and a C-H.O angle of 152 degrees. The phenanthrene core is less nearly planar in this structure than in the room temperature structure of phenanthrene-4-carboxylic acid.
Gerkin
RE
Department of Chemistry, The Ohio State University, Columbus, Ohio 43210, USA. gerkin@chemistry.ohio-state.edu.