Dimethyl[(E)-(2-nitromethylidene-1,3-dithiolan-4-yl)methyl]amine

Area of Science:

• Crystallography
• Organic Chemistry
• Structural Chemistry

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• Dithia-cyclo-pentane derivatives represent a class of compounds with potential applications in various chemical fields.

Purpose of the Study:

• To elucidate the precise molecular conformation and crystal packing of the title compound, C(7)H(12)N(2)O(2)S(2).
• To investigate the role of intermolecular interactions in stabilizing the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the puckering parameters and intermolecular contacts was performed.

Main Results:

• The dithia-cyclo-pentane ring adopts a half-chair conformation with a total puckering amplitude Q(T) of 0.473(5) Å.
• Intermolecular interactions, specifically C-H⋯N and C-H⋯O hydrogen bonds, were identified as key factors in the crystal packing.

Conclusions:

• The study provides detailed structural insights into a specific dithia-cyclo-pentane derivative.
• The findings highlight the importance of non-covalent interactions in directing the self-assembly of organic molecules in the solid state.