Synthesis and crystal structures of two racemic 2-heteroaryl-3-phenyl-2,3-di-hydro-4 H-pyrido[3,2- e][1,3]thia-zin-4-ones

两种外消旋2-杂芳基-3-苯基-2,3-二氢-4H-吡啶并[3,2-e][1,3]噻嗪-4-酮的合成及晶体结构

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作者:Hemant P Yennawar, Tapas K Mal, Mark A Olsen, Anthony F Lagalante, Evelyn M Louca, Aloura D Gavalis, Lee J Silverberg

Abstract

3-Phenyl-2-(thio-phen-3-yl)-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-one (C17H12N2OS2, 1) and 2-(1H-indol-3-yl)-3-phenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-one 0.438-hydrate (C21H15N3OS·0.438H2O, 2) crystallize in space groups P21/n and C2/c, respectively. The asymmetric unit in each case is comprised of two parent mol-ecules, albeit of mixed chirality in the case of 1 and of similar chirality in 2 with the enanti-omers occupying the neighboring asymmetric units. Structure 2 also has water mol-ecules (partial occupancies) that form continuous channels along the b -axis direction. The thia-zine rings in both structures exhibit an envelope conformation. Inter-molecular inter-actions in 1 are defined only by C-H⋯O and C-H⋯N hydrogen bonds between crystallographically independent mol-ecules. In 2, hydrogen bonds of the type N-H⋯O between independent mol-ecules and C-H⋯N(π) type, and π-π stacking inter-actions between the pyridine rings of symmetry-related mol-ecules are observed.

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