首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >5′′-(4-Nitro­benzyl­idene)-7′-(4-nitro­phen­yl)-1′′-methyl-1′3′5′6′7′7a′-hexa­hydro­dispiro­ace­naphthyl­ene-15′-pyrrolo­12-c13thia­zole-6′3′′-piperidine-24′′(1H)-dione including an unknown solvate
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5′′-(4-Nitro­benzyl­idene)-7′-(4-nitro­phen­yl)-1′′-methyl-1′3′5′6′7′7a′-hexa­hydro­dispiro­ace­naphthyl­ene-15′-pyrrolo­12-c13thia­zole-6′3′′-piperidine-24′′(1H)-dione including an unknown solvate

机译:5′′-(4-硝基亚苄基)-7′-(4-硝基苯基)-1′′-甲基-1′3′5′6′7′7a′-六氢二螺并-15 ′-吡咯并12-c 13噻唑-63-哌啶 -24(1H)-二酮包括未知溶剂化物

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摘要

The title compound, C35H28N4O6S, crystallizes with two mol­ecules in the asymmetric unit. In both mol­ecules, the piperidine ring adopts a shallow-chair conformation, the thia­zole ring adopts a twisted conformation about the Cm—N bond (m = methine) and the pyrrole ring adopts an envelope conformation with the C atom shared with the thia­zole ring as the flap. In the crystal, inversion dimers linked by pairs of C—H⋯O inter­actions generate R 2 2(34) loops for one of the asymmetric mol­ecules. Further C—H⋯O links also involving the other mol­ecule lead to a three-dimesional network. The contribution of the highly disordered solvent to the scattering was removed with SQUEEZE option of PLATON [Spek (2009). Acta Cryst. D>65, 148–155]. The solvent contribution is not included in the reported mol­ecular weight and density.
机译:标题化合物C35H28N4O6S在不对称单元中以两个分子结晶。在这两个分子中,哌啶环采用浅椅构型,噻唑环采用围绕Cm-N键的扭曲构型(m =次甲基),吡咯环采用与噻唑环共享的C原子作为包络构型。襟翼。在晶体中,由成对的C-H⋯O相互作用连接的反向二聚体为一个不对称分子产生R 2 2 (34)环。涉及其他分子的其他C-H = O链接也指向一个三维网络。用PLATON的SQUEEZE选项[Spek(2009)消除了高度无序的溶剂对散射的影响。 Acta Cryst。 D > 65 ,148-155]。所报告的分子量和密度中不包括溶剂的贡献。

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