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

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].

Fig. 1.

The molecular structure of the title compound, with anisotropic displacement ellipsoids (drawn at 50% probability level).

Fig. 2.

Intermolecular contacts, viewed along [-1 0 0]. Symmetry operators: i -x + 1/2, y - 1/2, z + 1/2; ii -x + 1/2, y + 1/2, z - 1/2.

Fig. 3.

Crystal packing of the title compound, viewed along [0 0 - 1] (anisotropic displacement ellipsoids drawn at 50% probability level).