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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 12, Number 4
BKCSDE 12(4)
April 20, 1991 

 
Title
Crystal Structure of 3-[4-(2-Ethoxy-2-phenylethyl)-1-piperazinyl]-2-methyl-1-phenyl-1-propanone (Eprazinone) dihydrochloride, C24H32N2O2·2HCl
Author
Euisung Kim, Hyun Song, Choong-Souh Yun, Hyun-So Shin
Keywords
Abstract
The crystal structure of eprazinone dihydrochloride, C24H32N2O2·2HCl, has been determined from 2102 independent reflections collected on an automated Nonious CAD-4 diffractometer using graphite-monochromated Mo-Kα radiation. The crystals are monoclinic, space group P21/n, with unit cell dimensions a=11.381(2), b=28.318(2), c=7.840(1) Å, β =92.45(2)°, μ=2.37 cm-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 Å for C(18) atom. The two chloride ions are hydrogen bonded to the two piperazine nitrogen atoms [N(14)…Cl(1); 2.986(6) Å N(17)…Cl(2); 3.084(8) Å].
Page
371 - 373
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