Literature DB >> 23795134

4-Cyano-1-methyl-pyridinium nitrate.

Cameron A McCormick1, Vu D Nguyen, Heather E Renfro, Lynn V Koplitz, Joel T Mague.   

Abstract

The title mol-ecular salt, C7H7N2 (+)·NO3 (-), displays an inter-penetrating sheet structure parallel to a with each sheet containing nearly coplanar cations and anions, each ion being bis-ected by a crystallographic mirror plane. C-H⋯O hydrogen bonds involving both ring and methyl H atoms in addition to cation-cation C-H⋯N hydrogen bonds (ring H to cyano N) serve to link the sheets together. In each set of parallel layers, the cations and anions stack with short distances of 3.094 (2) (between aligned nitrate N and pyridine N atoms) and 3.057 (2) Å (between a nitrate O atom and the ring centroid). This motif is strikingly similar to the one that features in the isomeric salt 2-cyano-1-methyl-pyridinium nitrate.

Entities:  

Year:  2013        PMID: 23795134      PMCID: PMC3685115          DOI: 10.1107/S1600536813014025

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


  7 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Putting anion-π interactions into perspective.

Authors:  Antonio Frontera; Patrick Gamez; Mark Mascal; Tiddo J Mooibroek; Jan Reedijk
Journal:  Angew Chem Int Ed Engl       Date:  2011-09-16       Impact factor: 15.336

3.  3-Cyano-anilinium nitrate.

Authors:  Bo Wang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-09-09

4.  2-Cyano-anilinium nitrate.

Authors:  Li-Jing Cui; Xiao-Chun Wen
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-07-31

5.  4-Cyano-1-methyl-pyridinium iodide.

Authors:  Michael N Kammer; Lynn V Koplitz; Joel T Mague
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-07-21

6.  4-Cyano-1-methyl-pyridinium bromide.

Authors:  Michael N Kammer; Joel T Mague; Lynn V Koplitz
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-07-10

7.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  7 in total
  2 in total

1.  4-Cyano-1-methyl-pyridinium perchlor-ate.

Authors:  Vu D Nguyen; Cameron A McCormick; Lynn V Koplitz; Joel T Mague
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2014-06-07

2.  Crystal structures of the hexa-fluorido-phosphate salts of the isomeric 2-, 3- and 4-cyano-1-methyl-pyridinium cations and determination of solid-state inter-action energies.

Authors:  Joel T Mague; Erin Larrabee; David Olivier; Francesca Vaccaro; Kevin E Riley; Lynn V Koplitz
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2018-08-24
  2 in total

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