(Z)-N-[3-(4-Bromo-benzo-yl)-1,3-thia-zolidin-2-yl-idene]cyanamide

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystal structure analysis provides fundamental insights into molecular packing and intermolecular forces.
• The specific compound, C(11)H(8)BrN(3)OS, belongs to a class of heterocyclic compounds with potential applications in medicinal chemistry and materials science.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(11)H(8)BrN(3)OS.
• To quantify the dihedral angle between the benzene and thiazolidine rings.
• To identify and analyze the intermolecular interactions responsible for crystal lattice stabilization.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• The crystal structure was refined to a satisfactory level of agreement.
• Analysis of non-covalent interactions, including C-H⋯N hydrogen bonds, was performed.

Main Results:

• The crystal structure of C(11)H(8)BrN(3)OS was successfully determined.
• A significant dihedral angle of 63.4(2)° was observed between the planar benzene and thiazolidine rings.
• Intermolecular C-H⋯N interactions were identified as key stabilizing forces within the crystal.

Conclusions:

• The crystal structure of C(11)H(8)BrN(3)OS reveals a distinct spatial arrangement of its constituent rings.
• The identified C-H⋯N interactions play a critical role in the supramolecular assembly and stability of the crystal.
• This structural information is valuable for further research into the compound's physical and chemical properties.