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Crystal structure of 8-(3,4-dimethylphenoxy)-16H dinaphtho[2,1-d:1′,2′-g] dioxaphosphocin 8-oxide


The title compound, C29H23O4P crystallizes in the triclinic space group\(P\bar 1\) witha=9.636(1),b=10.327(1),c=13.406(1) Å, α=102.22(1), β=100.59(1), γ=109.84(1)o.V=1178.1(2) Å3,Z=2,D cal=1.32 M gm−3, μ(CuKα)=6.16 cm−1, λ(CuKα)=1.5418 Å andT=295K. The structure was solved by direct methods and refined by full-matrix least-squares method to a finalR=0.052 andwR=0.063 for 2708 reflections withl≥3σ(l). The napthalene ring A lies perpendicular to the best plane of the phenyl ring [91.6(1)o] and the ring B orients at an angle of 55.7(1)o with this plane and is inclined at an angle of 77.8(1)o with ring A. The heterocyclic phosphorous eight-membered ring assumes a distorted boat conformation.

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Shanmuga Sundara Raj, S., Velmurugan, D., Banumathi, S. et al. Crystal structure of 8-(3,4-dimethylphenoxy)-16H dinaphtho[2,1-d:1′,2′-g] dioxaphosphocin 8-oxide. J Chem Crystallogr 24, 67–70 (1994).

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  • Reflection
  • Physical Chemistry
  • Crystal Structure
  • Inorganic Chemistry
  • Phenyl