首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of two thia­zolidinone derivatives bearing a tri­chloro­methyl substituent at the 2-position
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Crystal structures of two thia­zolidinone derivatives bearing a tri­chloro­methyl substituent at the 2-position

机译:在2位带有三bearing氯­甲基取代基的两种噻唑烷酮衍生物的晶体结构

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摘要

The title compounds 2-tri­chloro­methyl-3-phenyl-1,3-thia­zolidin-4-one (C10H8Cl3NOS), >1 and 3-(4-chloro­phen­yl)-2-tri­chloro­methyl-1,3-thia­zolidin-4-one (C10H7Cl4NOS) >2, are structurally related with one atom substitution difference in the para position of the benzene ring. In both structures, the thia­zolidinone ring adopts an envelope conformation with the S atom as the flap. The dihedral angles between the rings [48.72 (11) in >1 and 48.42 (9)° in >2] are very similar and the mol­ecules are almost superimposable. In both crystal structures, C—H⋯O ‘head-to-tail’ inter­actions between the chiral carbon atoms and the thia­zolidinone oxygen atoms result in infinite monochiral chains along the direction of the shortest unit-cell parameter, namely a in >1 and b in >2. C—H⋯π inter­actions between the thia­zolidinone carbon atom at the 4-position and the phenyl ring of the neighboring enanti­omer also help to stabilize the packing in each case, although the crystals are not isostructural.
机译:标题化合物2-三氯甲基-3-苯基-1,3-噻唑烷-4-(C10H8Cl3NOS),> 1 和3-(4-氯苯基)-2-三氯甲基-1,3-噻唑烷-4-one(C10H7Cl4NOS)> 2 ,在结构上与苯环对位的一个原子取代差异有关。在这两种结构中,噻唑烷酮环均具有一个以S原子为瓣的包封构象。环之间的二面角[> 1 中的48.72(11)和> 2 中的48.42(9)°]非常相似,分子几乎是可叠加的。在这两个晶体结构中,手性碳原子和噻唑烷酮氧原子之间的CH-O'头对尾'相互作用沿最短的晶胞参数方向形成无限的单手性链,即> 1 和> 2 中的b。尽管晶体不是同构的,但在每种情况下,4-位的噻唑烷酮碳原子与相邻对映异构体的苯环之间的CH键相互作用也有助于稳定堆积。

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