(R)-N-(Ferrocenylmeth-yl)-1-hy-droxy-3-phenyl-propan-2-aminium (E)-but-2-enoate.

ABSTRACT: The crystal structure of the title salt, [Fe(C(5)H(5))(C(15)H(19)NO)](C(4)H(5)O(2)), consists of discrete ammonium and carboxyl-ate ions, which associate into infinite chains parallel to [100] by means of N-H?O and O-H?O inter-actions. These chains are further cross-linked into a three-dimensional network by additional C-H?O contacts and by offset ?-? stacking inter-actions of inversion-related aromatic rings [centroid-centroid distance = 3.7040?(14)?Å]. The mol-ecular parameters of the ionic components are in no way unexpected, the geometry of the ammonium cation being similar to that found in other structurally characterized salts obtained from N-ferrocenylmethyl ?-amino-alcohols. The (E)-but-2-enoate anion consists of two approximately planar subunits, viz the delocalized carboxyl-ate unit and the butenyl group (the latter being planar within ca. 0.002?Å), which are mutually rotated by 30.3?(4)°.

SUBMITTER: Stepnicka P 

PROVIDER: S-EPMC3247540 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature