title: Hydrogen versus fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex.
abstract: At the molecular level, the enantiomerically pure square-planar organoplatinum complex (SP-4-4)-(R)-[2-(1-aminoethyl)-5-fluorophenyl-κ(2)C(1),N][(R)-1-(4-fluorophenyl)ethylamine-κN](isocyanato-κN)platinum(II), [Pt(C8H9FN)(NCO)(C8H10FN)], and its congener without fluorine substituents on the aryl rings adopt the same structure within error. The similarities between the compounds extend to the most relevant intermolecular interactions, i.e. N-H...O and N-H...N hydrogen bonds link neighbouring molecules into chains along the shortest lattice parameter in each structure. Differences between the crystal structures of the fluoro-substituted and parent complex become obvious with respect to secondary interactions perpendicular to the classical hydrogen bonds; the fluorinated compound features short C-H...F contacts with an F...H distance of ca 2.6 Å. The fluorine substitution is also reflected in reduced backbonding from the metal cation to the isocyanate ligand.
authors.affiliation: Institut für Anorganische Chemie, RWTH Aachen, Landoltweg 1, 52074 Aachen, Germany.
authors.forename: William
authors.initials: W
authors.lastname: Raven
authors.affiliation: Institut für Anorganische Chemie, RWTH Aachen, Landoltweg 1, 52074 Aachen, Germany.
authors.forename: Thomas
authors.initials: T
authors.lastname: Joschko
authors.affiliation: Institut für Anorganische Chemie, RWTH Aachen, Landoltweg 1, 52074 Aachen, Germany.
authors.forename: Irmgard
authors.initials: I
authors.lastname: Kalf
authors.affiliation: Institut für Anorganische Chemie, RWTH Aachen, Landoltweg 1, 52074 Aachen, Germany.
authors.forename: Ulli
authors.initials: U
authors.lastname: Englert
mesh_terms: D018360:Crystallography, X-Ray; D005461:Fluorine / Q000737:chemistry*; D006860:Hydrogen Bonding; D017953:Isocyanates / Q000737:chemistry*; D008024:Ligands; D015394:Molecular Structure; D009944:Organoplatinum Compounds / Q000737:chemistry*
chemical_list: D017953:Isocyanates; D008024:Ligands; D009944:Organoplatinum Compounds; D005461:Fluorine
keywords: F...H contacts; backbonding; crystal engineering; crystal structure; isocyanates; organoplatinum complexes