Year 2016

• Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach

  Publication

  • M. Daszkiewicz
  • A. Mielcarek

  - Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials - Year 2016

  Crystal structures of (H2m4na)NO3 (1), (H2m4na)HSO4 (2), (H2m4na)2SiF6 (3) and (H2m4na)2SiF6*2H2O (4), where 2m4na = 2-methyl-4-nitroaniline, are presented. Two layers of interactions occur in the structures, N—H...O/F hydrogen bonds and interactions with the nitro group. Although diverse, hydrogen-bonding patterns are compared with each other by means of interrelations among elementary graph-set descriptors and descriptors of hydrogen-bonding...

  Full text to download in external service

• Variable-temperature X-ray diffraction study of structural parameters of NH---S hydrogen bonds in triethylammonium and pyridinium silanethiolates

  Publication

  • A. Mielcarek
  • M. Daszkiewicz
  • K. Kazimierczuk
  • A. Ciborska
  • A. Dołęga

  - Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials - Year 2016

  Hydrogen bonds in triethylammonium and pyridinium silanethiolate salts have been characterized by X-ray, FT–IR and NMR spectroscopies. DFT calculations reveal strongly asymmetric double-well minima at the potential energy curves of the studied compounds