In an article, author is Khelloul, Nawel, once mentioned the application of 542-05-2, Recommanded Product: 542-05-2, Name is 3-Oxopentanedioic acid, molecular formula is C5H6O5, molecular weight is 146.0981, MDL number is MFCD00002711, category is thiazolidines. Now introduce a scientific discovery about this category.
Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Thiazolidin-4-one derivative: (Z)-5-(4-Chlorobenzylidene)-3-(2-ethoxyphenyl)-2-thioxothiazolidin-4-one
The title compound (Z)-5-(4-chlorobenzylidene)-3-(2-ethoxyphenyl)-2-thioxothiazolidin-4-one (CBBTZ) was characterized by X-ray single crystal diffraction, H-1 NMR and C-13 NMR spectra. Theoretical investigations were carried out using HF and DFT levels of theory at 6-31G(d, p) basis set. The X-ray structure is compared with that computed. The calculated geometrical parameters are in good agreement with those determined by X-ray diffraction. The dihedral angle between the two benzene rings is 16.89(5)degrees indicating that the structure is non planar. The molecule exhibits intraand intermolecular contacts of type C-H center dot center dot center dot O, C-H center dot center dot center dot S and C-H center dot center dot center dot Cl. The intercontacts in the crystal structure are explored using Hirshfeld surfaces analysis method.
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Reference:
Thiazolidine – Wikipedia,
,Thiazolidine – ScienceDirect.com