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Bis(dicyclohexylammonium 3-thienylacetate)
S W Ng1, S Chantrapromma, I A Razak
1Institute of Postgraduate Studies, University of Malaya, 50603 Kuala Lumpur, Malaysia.
Summary
The crystal structure reveals triclinic cells containing dodecylammonium benzoate ion pairs. These pairs form hydrogen bonds across a center of inversion, influencing crystal packing.
Area of Science:
- Crystallography
- Materials Science
- Supramolecular Chemistry
Background:
- Understanding the crystal structure of organic salts is crucial for predicting their physical and chemical properties.
- Ion pairs, formed by cations and anions, are fundamental building blocks in various chemical systems.
Purpose of the Study:
- To determine and analyze the crystal structure of the title compound.
- To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using standard crystallographic software.
Main Results:
- The triclinic crystal cell was characterized, containing dodecylammonium cations (C12H24N+) and benzoate anions (C6H5O2S-).
- Four specific hydrogen bonds were identified between nitrogen and oxygen atoms, linking the ion pairs.
- The hydrogen bond distances were measured as N...O = 2.728 (3) A and 2.758 (3) A.
- The ion pairs are arranged across a center of inversion within the crystal structure.
Conclusions:
- The crystal structure provides detailed insights into the arrangement and interactions of dodecylammonium benzoate ion pairs.
- The identified hydrogen bonds play a significant role in stabilizing the crystal structure and directing the supramolecular assembly.