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Updated: May 17, 2026

Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
4-Meth-oxy-N-[(E)-(5-nitro-thio-phen-2-yl)methyl-idene]aniline
Tufan Akbal1, Erbil Ağar, Sümeyye Gümüş
1Department of Physics, Arts and Sciences Faculty, Ondokuz Mayıs University, 55139 Samsun, Turkey.
This study reveals the nonplanar structure of a C(12)H(10)N(2)O(3)S molecule. Weak intermolecular interactions, including C-H⋯O and π-π stacking, organize molecules into crystal chains.
Area of Science:
- Crystallography
- Molecular structure analysis
Background:
- Understanding molecular interactions is crucial for materials science.
- The crystal packing of organic molecules influences their bulk properties.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title compound C(12)H(10)N(2)O(3)S.
- To analyze the nonplanar conformation and packing motifs in the crystalline state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions, including hydrogen bonds and π-π stacking, was performed.
Main Results:
- The molecule C(12)H(10)N(2)O(3)S exhibits a nonplanar geometry with a 33.44° inter-planar angle between benzene and thiophene rings.
- Weak intermolecular interactions observed include C-H⋯O hydrogen bonds forming chains, π-π stacking between benzene rings (3.7465 Å), and X-Y⋯π interactions.
Conclusions:
- The crystal structure is stabilized by a combination of weak intermolecular forces.
- The observed packing arrangement, driven by C-H⋯O and π-π interactions, dictates the formation of molecular chains parallel to the a axis.
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