(E)-Methyl 3-(3,5-dibromo-2-hy-droxy-benzyl-idene)carbazate.

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the solid-state behavior of organic compounds is crucial for predicting their physical and chemical properties.
• Hydrogen bonding and other non-covalent interactions play a significant role in crystal packing and molecular assembly.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(9)H(8)Br(2)N(2)O(3).
• To investigate the intermolecular interactions governing the crystal packing.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding (O-H⋯N, N-H⋯O, C-H⋯O) and C-H⋯π interactions was performed.

Main Results:

• The title compound crystallizes with two independent molecules in the asymmetric unit.
• Both molecules adopt a trans configuration around the C=N bond.
• Intra-molecular O-H⋯N hydrogen bonds are present within each molecule.
• Intermolecular N-H⋯O and C-H⋯O hydrogen bonds link molecules into chains along the [010] direction.
• C-H⋯π interactions contribute to the overall crystal structure stabilization.

Conclusions:

• The crystal structure of C(9)H(8)Br(2)N(2)O(3) reveals specific molecular conformations and packing motifs.
• The interplay of intra- and intermolecular hydrogen bonds, along with C-H⋯π interactions, dictates the solid-state architecture.