<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>68(Pt 6)</volume><submitter>Holzhacker C</submitter><pubmed_abstract>The title compound, C(11)H(20)N(2)PS(+)·BF(4) (-), is a salt of 2-(diisopropyl-thio-phospho-ryl-amino)-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 intra-molecular N-H⋯S hydrogen bonds, one of which one is bifurcated by involving also an N-H⋯F inter-action. The phospho-ryl-amino NH groups form near linear hydrogen bonds to proximal tetra-fluoro-borate anions. Five weak C-H⋯F and three weak C-H⋯S inter-actions 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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1835-6</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3379407</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>2-[(Diisopropyl-thio-phosphor-yl)amino]-pyridinium tetra-fluoro-borate.</pubmed_title><pmcid>PMC3379407</pmcid><pubmed_authors>Holzhacker C</pubmed_authors><pubmed_authors>Kirchner K</pubmed_authors><pubmed_authors>Mereiter K</pubmed_authors></additional><is_claimable>false</is_claimable><name>2-[(Diisopropyl-thio-phosphor-yl)amino]-pyridinium tetra-fluoro-borate.</name><description>The title compound, C(11)H(20)N(2)PS(+)·BF(4) (-), is a salt of 2-(diisopropyl-thio-phospho-ryl-amino)-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 intra-molecular N-H⋯S hydrogen bonds, one of which one is bifurcated by involving also an N-H⋯F inter-action. The phospho-ryl-amino NH groups form near linear hydrogen bonds to proximal tetra-fluoro-borate anions. Five weak C-H⋯F and three weak C-H⋯S inter-actions 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.</description><dates><release>2012-01-01T00:00:00Z</release><publication>2012 Jun</publication><modification>2025-04-05T12:59:44.953Z</modification><creation>2019-03-27T00:54:44Z</creation></dates><accession>S-EPMC3379407</accession><cross_references><pubmed>22719605</pubmed><doi>10.1107/S1600536812022295</doi></cross_references></HashMap>