Crystal Structure of 3-[4-(2-Ethoxy-2-phenylethyl)-1-piperazinyl]-2-methyl-1-phenyl-1-propanone (Eprazinone) dihydrochloride, C24H32N2O2?¤2HCl

摘要

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-Kメ radiation. The crystals are monoclinic, space group P21, with unit cell dimensions a=11.381(2), b=28.318(2), c=7.840(1) ∈, モ =92.45(2)∑, レ=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 ∈ for C(18) atom. The two chloride ions are hydrogen bonded to the two piperazine nitrogen atoms [N(14)ˇCl(1); 2.986(6) ∈ N(17)ˇCl(2); 3.084(8) ∈].