Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 5 (May 2013)


organic compounds



yf3030 scheme

Acta Cryst. (2013). C69, 560-564    [ doi:10.1107/S0108270113010226 ]

Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride-tribenzylphosphane (1/1)

W. Levason, D. Pugh and G. Reid

Abstract: Tribenzylphosphane, PBz3 (C21H21P), crystallizes in a notably different unit cell to its Group 15 analogues NBz3 and SbBz3. The packing is dominated by face-edge [pi]-interactions which result in infinite columns of molecules parallel to the b axis; these columns are linked by further face-edge [pi]-interactions into sheets of columns parallel to the [101] direction. Its hydrochloride salt, tribenzylphosphonium hydrogen dichloride-tribenzylphosphane (1/1), lies on a threefold axis within a trigonal crystal system. It exists in the solid state as a hydrogen-bridged dimer with the composition [H(PBz3)2]+[HCl2]- (C42H43P2+·HCl2-). The cation is the first structurally authenticated example of a phosphane acting as a hydrogen-bond acceptor to a phosphonium group and the cations are linked into a three-dimensional network through intermolecular face-edge [pi]-interactions.

Formula: C21H21P and C42H43P2+·HCl2-


hkldisplay filedownload file

Structure factor file (CIF format) (165.5 kbytes)
[ doi:10.1107/S0108270113010226/yf3030Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (80.4 kbytes)
[ doi:10.1107/S0108270113010226/yf3030IIsup3.hkl ]
Contains datablock II


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