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Journal of Chemical Crystallography

, Volume 43, Issue 6, pp 285–291 | Cite as

The Role of Solvent in Hydrogen Bonding Pattern of Ellagic Acid Crystals

  • Ewa Żesławska
  • Agnieszka Skórska-Stania
Original Paper

Abstract

To study the solvatomorphism in ellagic acid two crystal structures have been determined with the use of X-ray diffraction method. The obtained single crystals of dimethyl sulfoxide solvate and of dimethylformamide solvate belong to \( {P}\bar{1} \) and to P21/c space groups, respectively. In both structures, the inversion centre is located in the centre of the molecule of ellagic acid, so the asymmetric units contain only half of this molecule and one molecule of the corresponding solvent. The packing of the ellagic acid molecules in the crystals of these two solvatomorphs is dominantly controlled by the molecules of solvents, which form different hydrogen bonding patterns. The molecules of ellagic acid are planar and connected by hydrogen bonds via molecules of solvent, giving the rise to chains throughout the crystal. This work has concentrated on the strong O–H···O hydrogen bonds and weak C–H···O interactions.

Graphical Abstract

To study the solvatomorphism in ellagic acid and its influence on intermolecular hydrogen bonding, two crystal structures have been determined using small molecule, single crystal with X-ray diffraction.
Intermolecular hydrogen bonding for EA_DMSO show ring R 4 2 (14), whereas for EA_DMF, R 8 4 (36). Dashed lines indicate hydrogen bonds.

Keywords

Solvate Pseudopolymorph Ellagic acid X-ray crystal structure 

Notes

Acknowledgments

The authors thank Prof. Barbara Oleksyn for fruitful discussions, Dr. Justyna Kalinowska-Tłuścik for the assistance with X-ray diffraction measurement. The research was carried out with the equipment purchased thanks to the financial support of the European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program (contract no. POIG.02.01.00-12-023/08).

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Copyright information

© Springer Science+Business Media New York 2013

Authors and Affiliations

  1. 1.Department of ChemistryPedagogical UniversityKrakówPoland
  2. 2.Faculty of ChemistryJagiellonian UniversityKrakówPoland

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