Crystal structures, Hirshfeld surface analysis and inter-action energies of (<i>Z</i>)-2-(4-methyl-benzylidene)- and (<i>Z</i>)-2-(furfuryl-idene)-2<i>H</i>-benzo[<i>b</i>][1,4]thia-zin-3(4<i>H</i>)-one.

ABSTRACT: Two new 2-aryl-methyl-idene derivatives of benzo-1,4-thia-zin-3-one, namely, (Z)-2-(4-methyl-benzyl-idene)-2H-benzo[b][1,4]thia-zin-3(4H)-one, C₁₆H₁₃NOS, 1, and (Z)-2-(furan-2-yl-methyl-idene)-2H-benzo[b][1,4]thia-zin-3(4H)-one, C₁₃H₉NO₂S, 2, are rare examples of a nearly planar structure of the 1,4-thia-zin-3-one core stabilized by conjugation. Their supra-molecular structures are very similar, being dominated by assembly of inversion dimers through highly directional reciprocal N-H⋯O bonds [N⋯O = 2.822 (2) Å for 1; 2.881 (3) Å for 2]. Weaker forces are represented by C-H⋯O, C-H⋯π and stacking inter-actions, with more inter-actions in the case of furfu

SUBMITTER: Hni B 

PROVIDER: S-EPMC12589832 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature