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?? inter-actions, generating a three-dimensional network. Aromatic ?-? stacking also occurs [shortest centroid-centroid separation = 3.6012?(11)?Å].

SUBMITTER: Betz R 

PROVIDER: S-EPMC3089147 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature