1,5-Diamino-2,6-dibromo-9,10-anthraquinone

Area of Science:

• Crystallography and Molecular Structure
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Hydrogen bonding and other non-covalent interactions play a significant role in stabilizing crystal structures and influencing molecular assembly.

Purpose of the Study:

• To elucidate the detailed molecular and crystal structure of the title compound, C(14)H(8)Br(2)N(2)O(2).
• To identify and characterize the types and strengths of intra- and intermolecular interactions present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the precise atomic coordinates and unit cell parameters.
• Analysis of the crystal structure involved identifying hydrogen bonds (N-H⋯O, N-H⋯Br) and other significant intermolecular contacts (C=O⋯π, Br⋯Br).

Main Results:

• The molecular structure exhibits intramolecular hydrogen bonds (N-H⋯O and N-H⋯Br), contributing to its conformation.
• The crystal packing is characterized by inversion dimers formed through intermolecular N-H⋯O hydrogen bonds.
• Additional non-covalent interactions, including C=O⋯π and Br⋯Br contacts, were observed, influencing the overall crystal architecture.

Conclusions:

• The study provides a comprehensive structural analysis of C(14)H(8)Br(2)N(2)O(2), revealing key stabilizing interactions.
• The identified hydrogen bonding patterns and intermolecular contacts offer insights into the solid-state behavior and potential applications of this compound.