The first structural determination is described of a cyclic phosphazene, N3P3Cl4(i-Pr)H (VI), which contains both a hydrogen atom and an alkyl group as substituents attached to phosphorus. Compound VI contains a planar phosphazene ring with a curious alternation of P-N bond lengths at progressively greater distances from the P((i-Pr)H unit and with corresponding distortions in the bond angles within the ring. The longest P-N bonds are those connected to the P(i-Pr)H unit. The phosphorus-hydrogen bond length is 1.26 (7) Å, the phosphorus-carbon bond distance is 1.765 (1) Å, and the H-P-C bond angle is 109 (3)°. The structural features of the molecule can be understood in terms of crystal-packing forces and π-bonding hypotheses. Crystals of VI were orthorhombic of the space group P212121 with a = 6.128 (4) Å, b = 11.485 (2) Å, c = 17.467 (3) Å, and Z = 4. The final R1 and R2 factors were 0.043 and 0.045, respectively.
All Science Journal Classification (ASJC) codes
- Physical and Theoretical Chemistry
- Inorganic Chemistry