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Crystal Structure of 3-[4-(2-Ethoxy-2-phenylethyl)-1-piperazinyl]-2-methyl-1-phenyl-1-propanone (Eprazinone) dihydrochloride, $C_{24}H_{32}N_2O_2$·2HCl

  • Euisung Kim (Department of Chemistry Engineering, Dongguk University) ;
  • Hyun Song (Department of Chemistry Engineering, Dongguk University) ;
  • Choong-Souh Yun (Department of Chemistry Engineering, Dongguk University) ;
  • Hyun-So Shin (Department of Chemistry Engineering, Dongguk University)
  • Published : 1991.08.20

Abstract

The crystal structure of eprazinone dihydrochloride, $C_{24}H_{32}N_2O_2$${\cdot}$2HCl, has been determined from 2102 independent reflections collected on an automated Nonious CAD-4 diffractometer using graphite-monochromated $Mo-K\alpha$ radiation. The crystals are monoclinic, space group P$2_1$/n, with unit cell dimensions a=11.381(2), b=28.318(2), c=7.840(1) $\AA$, $\beta=92.45(2)^{\circ}$, ${\mu}=2.37$ c$m^{-1}$, F(000)=968, and Z=4. Final R value is 0.071 for independent 2102 observed reflections. The molecule assumes an extended conformation. The piperazine ring has a normal chair conformation and the four carbon atom are planar with a maximum displacement of 0.004 $\AA$ for C(18) atom. The two chloride ions are hydrogen bonded to the two piperazine nitrogen atoms [N(14)${\cdot}{\cdot}{\cdot}$Cl(1); 2.986(6) $\AA$ N(17)…Cl(2); 3.084(8) $\AA$].

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References

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