Hexamethylenediammonium bis(chloroacetate): a three-dimensional hydrogen-bonded framework structure.

Area of Science:

• Crystallography
• Materials Science
• Supramolecular Chemistry

Background:

• Hexamethylenediammonium salts are important in materials science.
• Understanding hydrogen bonding is crucial for predicting crystal structures and properties.
• Previous studies have characterized various simple hexamethylenediammonium salts.

Purpose of the Study:

• To determine the crystal structure of a specific hexamethylenediammonium salt.
• To analyze the hydrogen bonding network within the crystal structure.
• To compare the observed structure with those of related compounds.

Main Methods:

• Single crystal X-ray diffraction was used to determine the crystal structure.
• The crystal structure was analyzed to identify hydrogen bonding interactions.
• The hydrogen bonding patterns were compared with existing data for similar salts.

Main Results:

• The crystal structure of the title compound, C(6)H(18)N(2)(2+).2C(2)H(2)ClO(2)(-), was determined in the P\overline{1} space group.
• The cation was found to lie across an inversion center.
• A three-dimensional framework was formed through a combination of two-center and three-center N-H...O hydrogen bonds.

Conclusions:

• The study successfully elucidated the complex hydrogen-bonded structure of the title compound.
• The hydrogen bonding network contributes to the formation of a stable three-dimensional framework.
• The findings provide valuable comparative data for understanding structure-property relationships in hexamethylenediammonium salts.