Year 2020

• A new look at two polymorphic crystal structures of dibenzoylmethane: relationship between the crystal packing and the hydrogen atom position revealed by quantum chemistry and quantum crystallography methods

  Publication

  • S. Wojtulewski
  • J. Strawa
  • M. Tomczyk
  • M. Gawel
  • K. Brzezinski

  - Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials - Year 2020

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Year 2017

• Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates

  Publication

  • A. Brozdowska
  • J. Chojnacki

  - Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials - Year 2017

  Abstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...

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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...

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• 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