title: Structural characterization of prazosin hydrochloride and prazosin free base.
abstract: 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.
authors.affiliation: Department of Chemistry, Moscow State University, 119992 Moscow, Russia. vladimir@struct.chem.msu.ru
authors.forename: Vladimir V
authors.initials: VV
authors.lastname: Chernyshev
authors.forename: Peter W
authors.initials: PW
authors.lastname: Stephens
authors.forename: Alexandr V
authors.initials: AV
authors.lastname: Yatsenko
authors.forename: Olga B
authors.initials: OB
authors.lastname: Ryabova
authors.forename: Vadim A
authors.initials: VA
authors.lastname: Makarov
mesh_terms: D006860:Hydrogen Bonding; D015394:Molecular Structure; D011224:Prazosin / Q000737:chemistry* / Q000378:metabolism
chemical_list: D011224:Prazosin