Structural characterization of prazosin hydrochloride and prazosin free base.
The three-dimensional solid-state structures of prazosin hydrochloride, C19H22N5O4+.Cl- (A), and prazosin free base, C19H21N5O4 (B), have been determined by synchrotron X-ray powder diffraction. A and B crystallize in triclinic P-1 and monoclinic Cc space groups, respectively, with one structural unit per asymmetric part. In A and B, the prazosin molecule adopts different conformations, which do not correspond to those obtained by DFT optimizations of protonated and free prazosin.
Chernyshev
Vladimir V
VV
Department of Chemistry, Moscow State University, 119992 Moscow, Russia. vladimir@struct.chem.msu.ru
Stephens
Peter W
PW
Yatsenko
Alexandr V
AV
Ryabova
Olga B
OB
Makarov
Vadim A
VA
D006860:Hydrogen Bonding; D015394:Molecular Structure; D011224:Prazosin / Q000737:chemistry* / Q000378:metabolism
D011224:Prazosin