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N,N'-Bis[tris(hydroxymethyl)methyl]-ethanediamide: six O-H...O hydrogen bonds generate only a two-dimensional
J N Ross1, J N Low, C Fernandes
1Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen AB24 3UE, Scotland.
Summary
This study reveals the molecular structure of C(10)H(20)N(2)O(8), detailing its near-centrosymmetric conformation and extensive hydrogen bonding network. The compound forms a sheet structure through multiple intermolecular hydrogen bonds, influencing its crystal packing.
Area of Science:
- Crystallography
- Molecular Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular conformation and intermolecular interactions is crucial for predicting material properties.
- Hydrogen bonding plays a significant role in the self-assembly and structural organization of molecules.
Purpose of the Study:
- To elucidate the crystal structure and conformational preferences of the title compound C(10)H(20)N(2)O(8).
- To investigate the nature and extent of hydrogen bonding in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond distances, angles, and hydrogen bond geometry was performed.
Main Results:
- The title compound C(10)H(20)N(2)O(8) exhibits an almost centrosymmetric molecular conformation.
- Molecules are disordered over two crystallographic sites with a 0.94:0.06 occupancy ratio.
- Two intramolecular O-H...O hydrogen bonds and four intermolecular O-H...O hydrogen bonds were identified, forming a continuous sheet structure with five distinct ring motifs.
Conclusions:
- The hydrogen bonding network dictates the formation of a stable, extended sheet structure.
- The observed conformation and hydrogen bonding patterns provide insights into the supramolecular assembly of this compound.