Three-in-one: the novel packing and structures of three independent molecules of a tricyclic boron compound.
The three independent molecules in a single crystal of the tricyclic compound 15-[3-(dimethylamino)propoxy]-5,5,13,13-tetramethyl-1,7,9,14,16-pentaoxa-5,13-diazonia-15-bora-6,8-diboratadispiro[5.1.5.3]hexadecane, C15H36B3N3O6, are bound in dense layers by C-H...O(B) intermolecular interactions. The 3-(dimethylamino)propoxy arms adopt three different conformations with only van der Waals contact distances between the layers. The replicated differences in the B-N bond lengths [mean 1.723 (7) and 1.678 (5) A] for equivalent geometries are addressed using density functional theory (DFT) calculations.
Gainsford
Graeme J
GJ
Industrial Research Limited, PO Box 31-310, Lower Hutt, New Zealand. g.gainsford@irl.cri.nz
Al-Salim
Najeh
N