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Updated: May 4, 2026
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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
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(E)-3-(4-Bromo-5-methyl-thio-phen-2-yl)acrylo-nitrile
Gamal A El-Hiti1, Keith Smith2, Asim A Balakit3
1Department of Optometry, College of Applied Medical Sciences, King Saud University, PO Box 10219, Riyadh 11433, Saudi Arabia.
Acta Crystallographica. Section E, Structure Reports Online
|January 16, 2014
Summary
This study details the crystal structure of C8H6BrNS, revealing planar molecules linked by intermolecular interactions. These interactions form ribbon and herringbone patterns, resulting in a layered crystal structure.
Area of Science:
- Crystallography
- Chemical Physics
Background:
- Understanding molecular arrangement in crystals is crucial for predicting material properties.
- Intermolecular interactions dictate crystal packing and macroscopic structure.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C8H6BrNS.
- To identify the types of intermolecular interactions present and their role in crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was used to determine the molecular and crystal structure.
- Analysis of intermolecular contacts (e.g., C-H⋯N interactions) was performed.
Main Results:
- The C8H6BrNS molecules are predominantly planar, with methyl hydrogen atoms deviating from planarity.
- Molecules self-assemble into ribbons via intermolecular C-H⋯N hydrogen bonds along the b axis.
- Ribbons arrange in a herringbone motif, creating a layered structure parallel to the ab plane.
Conclusions:
- The crystal structure of C8H6BrNS is characterized by directional intermolecular interactions.
- The observed packing, involving ribbons and herringbone arrangements, is driven by C-H⋯N hydrogen bonding.
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