2-Methyl-4-thio-cyanato-aniline

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Ortho-toluidine derivatives are important in organic synthesis.
• Understanding crystal structures provides insights into molecular interactions and material properties.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C8H8N2S.
• To identify and characterize the intermolecular interactions present in the crystal.

Main Methods:

• Single-crystal X-ray diffraction was used to determine the crystal structure.
• Analysis of hydrogen bonds (N-H⋯N) and C-H⋯N contacts was performed.

Main Results:

• The crystal structure of C8H8N2S was successfully determined.
• Classical N-H⋯N hydrogen bonds and C-H⋯N contacts were identified as key stabilizing interactions.
• These interactions assemble the molecules into a three-dimensional network.

Conclusions:

• The crystal packing is governed by a combination of hydrogen bonding and weaker C-H⋯N interactions.
• The observed network structure is characteristic of this ortho-toluidine rhodanide derivative.