Structure of 3-(2-pyridyl)-2-(2-tolyl)-1,3-thiazolidin-4-one, C15H14N2OS

Abstract

Abstract. M r=270.36, space group P1, a= 10

An Experimental and Theoretical Conformational Study of a Series of Substituted 3-cyclohexyl-2-phenyl-1,3-thiazolidin-4-ones

“…The meta and para substituents in all series are consistently: p-NO 2 ; m-NO 2 ;H, Solid state conformational studies (Hickel et al, 1983;Tierney et al, 2005) of diaryl compounds (Series 1, 2 and 5) showed that their conformation is different in the solid state from that in solution. Using X-ray data, Woolston concluded that conformer A (Figure 2) is the preferred solid state conformer, with the C2 aryl group (R) pseudo-axial and conformer B (Figure 2) is the preferred conformer in solution (Woolston et al, 1992;Hickel et al, 1983). The thiazolidin-4-one ring has a chiral center at C2 ensuring that the methylene protons at C5 are nonequivalent, leading to an ABX splitting pattern in 1 H NMR.…”

“…Additional 1 H NMR dataalso links the methine proton, H x , coupling to the lower field trans methylene proton H b for 2,3-diphenyl-1,3-thiazolidin-4-one. In this present study ( Figure 1, Series 7) NMR data and X-ray data for the same compound were utilized rather than comparing compounds that have the same heterocyclic nucleus but different aryl moieties at C2 and N3, as in the case of the Woolston study (Woolston et al, 1993;Hickel et al, 1983). In addition, ab initio molecular modeling information is introduced to enhance the understanding of the solution state conformers in the C2 phenyl N3 cyclohexyl series of substituted thiazolidin-4-ones.…”

Synthesis, characterization, antibacterial and antifungal activity of 2‐(aryl)‐3‐(3‐((8‐hydroxyquinolin‐5‐yl)diazenyl)phenyl)thiazolidin‐4‐ones

“…Its derivatives have been found to have potentially chemotherapic activities such as anticonvulsant [ 37], antibacterial [ 38], antifungal [ 39], anti‐inflammatory [ 40], anticancer [ 41], and antipsychotic [ 42] properties. Some of the reported 4‐thiazolidinones have showed envelope or half‐chair conformation with different configurations [ 43]. Their structural and conformational features are essential to correlate to the biological activity.…”

Playing around with MP, a tool for the analysis of pseudosymmetry: recurrent appearance of local pseudo-space groups in the asymmetric unit of Z′ = 4 structures

“…The colour code is as in Fig. 3. 3 The complete set includes cases 4a with CSD refcode BERSUM (Gzella et al, 1999); 4b BIJDON05 (Ng, 2011); 4c CICQAH (von Chrzanowski et al, 2007); 4d DUTGAB (Khan et al, 2010); 4e GUFKAT (Blake et al, 1999); 4f LEFRIZ (Khalaji et al, 2012); 4g MUCJIE (Lu et al, 2009); 4h NOZVIH (Dobson & Gerkin, 1998); 4i QIMMAA (Bats et al, 2001); 4j RAHDUC (Piccialli et al, 2017); 4k GOFQUO (Fairuz et al, 2008); 4l WERNOW (Tinant et al, 1994); 4m RIZCEJ (Gró f et al, 2008); 4n BOKXII (Hickel et al, 1983); 4o PELLIC (Cuffini et al, 2006); 4p TIJPUX (Kato et al, 2001); 4q UKIZUK (Budesinsky et al, 2010); 4r UPAXUF (Xie & Zhao, 2011); 4s XODYAS (Burrett et al, 2014); 4t CICROW (Kettmann et al, 2007); 4u ABADIS02 (Kuai & Cheng, 2011); 4v PAVRUB (Owczarzak & Kubicki, 2012); 4w TEJPAZ (Alcock et al, 1996); 4x GALBEB (Britton, 2005).…”