Redetermined structure of diphenyl-phospho-nimidotriphenyl-phospho-rane: location of the hydrogen atoms and analysis of the inter-molecular inter-actions

Richard Betz; Thomas Gerber; Eric Hosten; Henk Schalekamp

doi:10.1107/S1600536811011500

Redetermined structure of diphenyl-phospho-nimidotriphenyl-phospho-rane: location of the hydrogen atoms and analysis of the inter-molecular inter-actions

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1028-9. doi: 10.1107/S1600536811011500. Epub 2011 Apr 7.

Authors

Richard Betz¹, Thomas Gerber, Eric Hosten, Henk Schalekamp

Affiliation

¹ Nelson Mandela Metropolitan University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth, 6031, South Africa.

Abstract

The title compound, C(30)H(25)NOP(2), is a bulky phosphazene derivative. Its previous crystal structure [Cameron et al. (1979 ▶). Acta Cryst. B35, 1373-1377] is confirmed and its H atoms have been located in the present study. The formal P=N double bond is about 0.05 Å shorter than the P-N single bond and the large P=N-P bond angle reflects the steric strain in the mol-ecule. An intra-molecular C-H⋯O inter-action occurs. In the crystal, short C-H⋯O contacts connect the mol-ecules into chains propagating in [011], which are cross-linked via C-H⋯π inter-actions, generating a three-dimensional network. Aromatic π-π stacking also occurs [shortest centroid-centroid separation = 3.6012 (11) Å].