首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >2-[6-(4-Bromo­phen­yl)imidazo[2,1-b][1,3]thia­zol-3-yl]-N-[8-(4-hy­droxy­phen­yl)-2-methyl-3-oxo-1-thia-4-aza­spiro­[4.5]decan-4-yl]acetamide ethanol disolvate
【2h】

2-[6-(4-Bromo­phen­yl)imidazo[2,1-b][1,3]thia­zol-3-yl]-N-[8-(4-hy­droxy­phen­yl)-2-methyl-3-oxo-1-thia-4-aza­spiro­[4.5]decan-4-yl]acetamide ethanol disolvate

机译:2- [6-(4-溴苯基)咪唑并[2,1-b] [1,3]噻唑-3-基] -N- [8-(4-羟基苯基)-2-甲基-3-氧代-1 -thia-4-azaspiro [4.5] decan-4-yl]乙酰胺乙醇二油酸酯

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摘要

In the title compound, C28H27BrN4O3S2·2C2H6O, the cyclo­hexane ring adopts a chair conformation. The imidazo[2,1-b][1,3]thia­zole ring system is essentially planar with a dihedral angle of 1.1 (2)° between the thia­zole 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 hy­droxy-substituted benzene rings. In the 5-methyl-1,3-thia­zolidin-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⋯π inter­actions. Furthermore, two weak π–π stacking inter­actions [centroid–centroid distances = 3.967 (3) and 3.892 (2) Å] are also observed.
机译:在标题化合物C28H27BrN4O3S2·2C2H6O中,环­己烷环具有椅子构型。咪唑并[2,1-b] [1,3]噻唑环系统基本上是平面的,噻唑环与咪唑环之间的二面角为1.1°(2)°。该环系统的平均平面与溴和羟基取代的苯环的二面角分别为8.11(16)和79.43(17)°。在5-甲基-1,3-噻唑烷丁-4-酮基团中,键合到其上的S原子,甲基和环C原子在两组位置上无序排列,精细占比为0.610(19)和0.390( 19)。晶体结构具有N-H⋯O,OH-H⋯O,OH-H⋯N和C-H⋯O氢键和CH-H⋯π相互作用。此外,还观察到两个弱的π-π堆积相互作用[质心-质心距离= 3.967(3)和3.892(2)Å]。

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