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Published on: August 16, 2018
1,1'-(Propane-1,3-di-yl)bis-(3-phenyl-urea)
Pramod Pansuriya1, Hariska Naidu, Holger B Friedrich
1School of Chemistry, University of KwaZulu-Natal, Durban 4000, South Africa.
Acta Crystallographica. Section E, Structure Reports Online
|November 9, 2011
Summary
This study reveals the crystal structure of C(17)H(20)N(4)O(2), highlighting polymeric chains formed by urea groups and evidence of pi-pi stacking. These findings offer insights into molecular arrangement in crystalline solids.
Area of Science:
- Crystallography and Materials Science
Background:
- Understanding the crystal structure of organic compounds is crucial for predicting their physical and chemical properties.
- Molecular interactions, such as hydrogen bonding and pi-pi stacking, significantly influence crystal packing and material characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(17)H(20)N(4)O(2).
- To investigate the intermolecular forces and packing arrangements within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional arrangement of atoms.
- Analysis of crystallographic data to identify hydrogen bonding and pi-pi stacking interactions.
Main Results:
- The title compound, C(17)H(20)N(4)O(2), exhibits crystallographic inversion symmetry.
- Infinite polymeric chains are formed via inter-molecular hydrogen bonding between adjacent urea groups, oriented diagonally across the bc plane.
- Significant pi-pi stacking interactions were observed in the crystal along the bc plane, with a centroid-centroid distance of 3.295(2) Å.
Conclusions:
- The crystal structure is characterized by a unique arrangement of polymeric chains driven by urea-urea hydrogen bonding.
- The presence of both hydrogen bonding and pi-pi stacking contributes to the overall stability and packing of the crystal structure.
- These findings provide valuable data for the design and synthesis of novel materials with tailored properties.
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