Ethane-1,2-diammonium dibromide: a redetermination at 100 K.

Area of Science:

• Crystallography
• Solid-state chemistry
• Chemical physics

Background:

• Previous crystallographic studies provide a foundation for understanding molecular structures.
• Detailed analysis of hydrogen bonding is crucial for predicting material properties.

Purpose of the Study:

• To redetermine the crystal structure of ethane-1,2-diammonium dibromide.
• To locate hydrogen atoms and elucidate the hydrogen-bonding scheme.
• To describe the resulting crystal packing and motifs.

Main Methods:

• Single-crystal X-ray diffraction was employed for structure determination.
• Hydrogen atom positions were located through detailed structural analysis.
• Analysis of intermolecular interactions, specifically hydrogen bonds, was performed.

Main Results:

• The crystal structure of ethane-1,2-diammonium dibromide (C(2)H(10)N(2)·2Br) was refined.
• Hydrogen atoms were successfully located, confirming their role in the crystal lattice.
• A detailed hydrogen-bonding network involving N-H⋯Br interactions was identified, forming various ring and chain structures.

Conclusions:

• The precise arrangement of ethane-1,2-diammonium cations and bromide anions was established.
• The hydrogen-bonding network plays a significant role in stabilizing the crystal structure.
• The study identified specific motifs, including an R(10)(5)(32) loop, contributing to the understanding of crystal engineering.