2-[6-(4-Bromo-phen-yl)imidazo[2,1-b][1,3]thia-zol-3-yl]-N-[8-(4-hy-droxy-phen-yl)-2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]decan-4-yl]acetamide ethanol disolvate.

ABSTRACT: In the title compound, C(28)H(27)BrN(4)O(3)S(2)·2C(2)H(6)O, the cyclo-hexane ring adopts a chair conformation. The imidazo[2,1-b][1,3]thia-zole ring system is essentially planar with a dihedral angle of 1.1?(2)° between the thia-zole and imidazole rings. The mean plane of this ring system makes dihedral angles of 8.11?(16) and 79.43?(17)°, respectively, with the bromo- and hy-droxy-substituted benzene rings. In the 5-methyl-1,3-thia-zolidin-4-one group, the S atom, the methyl group and the ring C atoms bonded to them are disordered over two sets of sites with refined occupancies of 0.610?(19) and 0.390?(19). The crystal structure features N-H?O, O-H?O, O-H?N and C-H?O hydrogen bonds and C-H?? inter-actions. Furthermore, two weak ?-? stacking inter-actions [centroid-centroid distances = 3.967?(3) and 3.892?(2)?Å] are also observed.

SUBMITTER: Akkurt M 

PROVIDER: S-EPMC3344614 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature