2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate

• Main Authors: Christian Holzhacker, Karl Kirchner, Kurt Mereiter
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-06-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536812022295

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.