Synthesis, crystal and supramolecular structure of rac-N-acetyl-2- thiohydantoin-asparagine

Abstract

The title compound, C7H9N3O3S, also known as rac-N-acetyl-5-propionamide-2-thioxo-imidazolidin-4-one, crystallize in the monoclinic system with space group P21/n (Nº14), Z=4, and unit cell parameters a= 9.338 (7) Å, b= 7.545 (5) Å, c= 13.212 (10) Å, E= 97.10 (2)°, V= 932.8 (12) Å3. The acetyl group and the mean plane of the ureido group form an angle of 81.0 (2)°. In the supramolecular structure, the molecules are joined by N--H···O hydrogen bonds into cyclic structures with graph-set R2 2(14) and R2 2(16), forming a three-dimensional network.

Keywords

• Single-crystal X-ray diffraction; Hydrogen bonding; multi-component crystal
• Hydrogen bonding; multi-component crystal
• Thiohydantoin
• Crystal structure
• ; supramolecular chemistry; hydrogen bonds
• Supramolecular chemistry
• hydrogen bonds