Crystal Structure of 5-Phenyl-2-thioxo-4-imidazolidinone
抄録
The crystal structure of 5-phenyl-2-thioxo-4-imidazolidinone has been determined by X-ray diffraction. The crystal, C9H8N2OS, belongs to space group P1 with cell dimensions of a = 8.971(3)Å, b = 9.651(3)Å, c = 10.497(3)Å, α = 82.39(2)°, β = 80.15(2)°, γ = 79.16(2)°. The final R value is 0.045 for 2683 reflections (I > 2.00σ(I)). There are two independent molecules, A and B, in the asymmetric unit. The molecules differ mainly in the orientation of the phenyl ring with respect to the five-membered ring. In crystals, the thioamide groups of molecules A and B form centrosymmetric dimers A-A and B-B via the N-H…S hydrogen bonds. The amide groups of two neighboring molecules, A and B, form pseudo-centrosymmetric dimers A-B through N-H…O hydrogen bonds.
権利
Copyright (c) 2007 by The Japan Society for Analytical Chemistry
Crystal Structure of 5-Phenyl-2-thioxo-4-imidazolidinone
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