Research Article: 2-[(Diisopropyl­thio­phosphor­yl)amino]­pyridinium tetra­fluoro­borate

Date Published: June 01, 2012

Publisher: International Union of Crystallography

Author(s): Christian Holzhacker, Karl Kirchner, Kurt Mereiter.


The title compound, C11H20N2PS+·BF4−, is a salt of 2-(diisopropyl­thio­phospho­ryl­amino)­pyridine, a chelating bidentate ligand that furnishes an S atom as a soft donor and a pyridine N atom as a hard atom for transition-metal complexation. The title salt crystallizes with two formula units in the asymmetric unit. The two independent cations are protonated at the pyridine N atoms and have the S atoms syn-oriented to them so as to form bent intra­molecular N—H⋯S hydrogen bonds, one of which one is bifurcated by involving also an N—H⋯F inter­action. The phospho­ryl­amino NH groups form near linear hydrogen bonds to proximal tetra­fluoro­borate anions. Five weak C—H⋯F and three weak C—H⋯S inter­actions link the constituents into a three-dimensional framework. As a result of the crystal packing, the two cations differ notably in conformation, as can be seen from the S—P—N—C torsion angles of −18.7 (1)° in the first and −35.1 (1)° in the second cation.

Partial Text

For the synthesis of 2-(diisopropyl­thio­phospho­ryl­amino)­pyridine, see: Smith & Sisler (1961 ▶); Bichler et al. (2011 ▶). For Cu, Pd, and Fe complexes of 2-(diisopropyl­thio­phospho­ryl­amino)­pyridine, see: Öztopcu et al. (2011 ▶); Bichler et al. (2011 ▶); Holzhacker et al. (2011 ▶). For an review on S-bearing transition-metal catalysts, see: Bayón et al. (1999 ▶).




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