(E)-Ethyl 2-(3-cinnamoyl-thio-ureido)acetate.

Area of Science:

• Organic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• Thio-ureido derivatives are important scaffolds in medicinal chemistry and materials science.

Purpose of the Study:

• To elucidate the crystal structure of the compound C(14)H(16)N(2)O(3)S.
• To analyze the stereochemistry and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and hydrogen bonding patterns was performed.

Main Results:

• The compound exhibits an E configuration around the C=C bond involving the phenyl ring and the ethyl 2-(3-formyl-thio-ureido)acetate fragment.
• An intramolecular N-H⋯O hydrogen bond forms a stable S(6) ring motif.
• Intermolecular N-H⋯S, C-H⋯S, and C-H⋯O hydrogen bonds organize the molecules into sheets parallel to the ab plane.

Conclusions:

• The determined crystal structure provides a detailed understanding of the solid-state arrangement of C(14)H(16)N(2)O(3)S.
• The observed hydrogen bonding network influences the packing and stability of the crystal structure.
• This structural information can guide future research in the synthesis and application of related compounds.