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Crystal and molecular structure of the ethanol solvate of 2-[bis(diphenylphosphoryl)methyl]phenol

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Abstract

Crystal and molecular structure of the ethanol solvate of 2-[bis(diphenylphosphoryl)methyl]phenol, C31H26O3P2·3/4 C2H5OH (I), was determined by X-ray diffraction analysis. Crystals I are monoclinic: a=11.896(3), b=17.207(3), c=28.421(6) Å, β=90.75(2)°, Z=8, space group P21/c. The structure of I was solved by direct methods and refined anisotropically by large-block least-squares analysis to R=0.066 (CAD-4 automatic diffractometer, λMoKα radiation, 3650 independent reflections with I≥3σ). The crystal structure of I contains two independent molecules, Ia and Ib, of the basic substance and two independent solvate molecules of ethanol. The P atoms in molecules Ia and Ib have distorted tetrahedral environments; the average bond lengths are: P=O 1.476(3), P-C(sp3)=1.833(4) and P-C(Ar)=1.809(4) Å. Molecule Ia has an approximate symmetry plane Cs. The conformation of molecule Ib differs from that of Ia in rotation of one diphenylphosphoryl substituent around the P-C(sp3) bond by an angle of ≈34°. In molecule Ia, the O=P-C-P=O fragment has the form of a chela with two nearly parallel P=O bonds. In the crystal structure of I there are O-H...O=P intermolecular H-bonds; in molecules Ia and Ib there is an intramolecular H-bond of C-H...OH type.

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References

  1. A. M. Rozen,Radiokhim.,33, No. 5, 14–32 (1991).

    CAS  Google Scholar 

  2. M. Yu. Antipin, Yu. T. Strukhkov, S. A. Pisareva, et al.,Zh. Strukt. Khim.,21, No. 5, 101–107 (1980).

    CAS  Google Scholar 

  3. R. F. Stewart, E. R. Davidson, and W. T. Simpson,J. Chem. Phys.,42, No. 9, 3175–3187 (1965).

    Article  CAS  Google Scholar 

  4. International Tables for X-Ray Crystallography, Vol. 4, Kynoch Press, Birmingham (1974), pp. 71–151.

  5. F. H. Allen, O. Kennard, D. G. Watson, et al.,J. Chem. Soc., Perkin Trans. 2, No. 12. S1-S19 (1987).

    Article  Google Scholar 

  6. W. Hewertson, B. T. Kilbourn, and R. H. B. Mais,J. Chem. Soc., Chem. Commun., No. 15, 952–953 (1970).

    Google Scholar 

  7. A. E. Kalinin, V. G. Andrianov, and Yu. T. Struchkov,Zh. Strukt. Khim. 17, No. 1, 153–159 (1976).

    CAS  Google Scholar 

  8. V. G. Dashevskii, A. P. Baranov, T. Ya. Medved', and M. I. Kabachnik,Teor. Éksp. Khim.,15, No. 3, 255–264 (1979).

    CAS  Google Scholar 

  9. A. Bondi,J. Phys. Chem.,68, No. 3, 441–451 (1964).

    CAS  Google Scholar 

  10. R. Taylor and O. Kennard,J. Am. Chem. Soc.,104, No. 19, 5063–5070 (1982).

    Article  CAS  Google Scholar 

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Authors
  1. A. N. Chekhlov
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Institute of Physiologically Active Substances, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 36, No. 5, pp. 925–932, September–October, 1995.

Translated by L. Smolina

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Chekhlov, A.N. Crystal and molecular structure of the ethanol solvate of 2-[bis(diphenylphosphoryl)methyl]phenol. J Struct Chem 36, 843–850 (1995). https://doi.org/10.1007/BF02579679

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  • DOI: https://doi.org/10.1007/BF02579679

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