(E)-2-Bromo-1-[2-(2-nitro-styr-yl)-1-phenyl-sulfonyl-1H-indol-3-yl]ethanone

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides precise data on molecular conformation and intermolecular interactions.

Purpose of the Study:

• To elucidate the crystal structure of the novel compound C24H17BrN2O5S.
• To analyze the dihedral angles between the phenyl, indole, and nitro-benzene rings.
• To identify and describe the intermolecular interactions present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Geometric analysis was performed to calculate dihedral angles between the planar ring systems.
• Analysis of intermolecular interactions, specifically C-H⋯O hydrogen bonds, was conducted.

Main Results:

• The crystal structure of C24H17BrN2O5S was successfully determined.
• Significant dihedral angles were observed: 85.4° (phenyl-indole), 8.8° (phenyl-nitrobenzene), and 80.1° (indole-nitrobenzene).
• A two-dimensional network was identified, formed by weak C-H⋯O intermolecular interactions parallel to the bc plane.

Conclusions:

• The detailed crystal structure provides a foundation for understanding the solid-state properties of this bromo-nitro-indole derivative.
• The observed dihedral angles indicate a non-planar conformation, influencing molecular packing and potential interactions.
• The identified 2D network highlights the role of weak interactions in stabilizing the crystal structure.