NMR and crystallographic evidence for polymorphism of the N-phenyl-N′-[1-(3-(phenyl-4-piperazinyl)propan-2-ol)]urea
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Abstract
NMR spectroscopy and single-crystal X-ray analysis have been used to characterize polymorphism of the racemate of the N-phenyl-N′-[1-(3-(phenyl-4-piperazinyl)propan-2-ol)urea displaying an analgesic activity. The crystal structures of the monoclinic form,Rm witha=4.788(1),b=9.432(7),c=40.791(5) Å, β=90.93(1)°, space groupP21/n,Z=4 and of the orthorhombic form,Ro witha=10.948(3),b=8.896(3),c=38.857(6) Å, space groupPbca,Z=8, have been determined. In addition, the crystal structure of an enantiomer orthorhombic,Eo, isolated from a conglomerate, witha=4.787(3),b=9.461(2),c=40.809(10) Å, space groupP212121, Z=4, has also been determined. The three conformations have been compared when the molecules have the same relative configurations.
Key Words
NMR polymorphism racemate conglomerate enantiomer N-aryl(alkyl)-N′-1-(propan-2-ol)ureasPreview
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