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A Direct, Early Stage Guanidinylation Protocol for the Synthesis of Complex Aminoguanidine-containing Natural Products
Published on: September 9, 2016
Bis(guanidinium) 4,5-dichloro-phthalate monohydrate
1Faculty of Science and Technology, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.
Acta Crystallographica. Section E, Structure Reports Online
|August 13, 2011
Summary
This study details the crystal structure of a hydrated salt, revealing specific molecular arrangements. The research highlights how hydrogen bonding influences the formation of duplex-sheet structures in this chemical compound.
Area of Science:
- Crystallography
- Chemical Physics
Background:
- Understanding the molecular structure and interactions of hydrated salts is crucial in various chemical and material science applications.
- Guanidinium salts and their derivatives are widely studied for their unique properties and hydrogen bonding capabilities.
Purpose of the Study:
- To elucidate the detailed crystal structure of the hydrated salt 2CH(6)N(3) (+)·C(8)H(2)Cl(2)O(4) (2-)·H(2)O.
- To investigate the role of hydrogen bonding in the self-assembly and structural organization of the salt.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of hydrogen bonding networks (N-H⋯O, O-H⋯O) was performed to understand intermolecular interactions.
Main Results:
- The crystal structure revealed a hydrated salt with the formula 2CH(6)N(3) (+)·C(8)H(2)Cl(2)O(4) (2-)·H(2)O.
- Dihedral angles indicate significant rotation of carboxylate group planes out of the benzene ring plane (48.42° and 55.64°).
- A duplex-sheet supramolecular structure was identified, stabilized by extensive hydrogen bonding.
Conclusions:
- The study provides precise structural data for this hydrated guanidinium salt.
- Hydrogen bonding plays a critical role in forming the observed duplex-sheet architecture, influencing the solid-state organization of the compound.
