Hydrogen versus fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex. Issue 3 (11th February 2016)

• Record Type: Journal Article
• Authors: Raven, William; Joschko, Thomas; Kalf, Irmgard; Englert, Ulli
• Is Part Of: Acta crystallographica. Volume 72:Issue 3(2016)
• Page Start: 184
• Page End: 188
• Publication Date: 2016-02-11
• Subjects: organoplatinum complexes -- F…H contacts -- isocyanates -- backbonding -- crystal structure -- crystal engineering; Crystallography -- Periodicals; Crystals -- Periodicals; 548.3
• DOI: 10.1107/S2053229616002382
• Languages: English
• ISSNs: 2053-2296

Abstract

Abstract : Substitution of hydrogen by fluorine in a square‐planar organoplatinum complex hardly affects the molecular structure but becomes relevant for packing. 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‐κ N ](isocyanato‐κ N )platinum(II), [Pt(C8 H9 FN)(NCO)(C8 H10 FN)], 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.