N-Methyl-N-nitroso-p-toluene-sulfon-amide

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding intermolecular forces is crucial for predicting and controlling crystal packing.
• Hydrogen bonding and π-π stacking are key non-covalent interactions that dictate crystal structures.
• The specific compound C8H10N2O3S has not been extensively studied regarding its solid-state architecture.

Purpose of the Study:

• To elucidate the crystal structure of C8H10N2O3S.
• To identify and characterize the dominant intermolecular interactions present in the crystal lattice.
• To understand how these interactions influence the overall supramolecular assembly.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional crystal structure.
• Analysis of the crystal structure involved identifying hydrogen bond donors and acceptors.
• π-π stacking interactions were quantified by measuring centroid-centroid distances and ring orientations.

Main Results:

• The crystal structure of C8H10N2O3S was successfully determined.
• Predominant C-H⋯O hydrogen bonds were observed between sulfonyl oxygen atoms and methyl group hydrogen atoms.
• π-π stacking interactions between adjacent aromatic rings were identified, with a centroid-centroid distance of 3.868(11) Å.
• These interactions result in the formation of extended chains oriented parallel to the (101) crystallographic plane.

Conclusions:

• The crystal packing of C8H10N2O3S is primarily governed by a combination of C-H⋯O hydrogen bonding and π-π stacking.
• The identified intermolecular interactions lead to a specific one-dimensional chain architecture.
• This structural insight provides a foundation for understanding the physical and chemical properties of C8H10N2O3S.