Hazra, Dipak K. published the artcileAb initio powder structure analysis and theoretical study of two thiazole derivatives, Related Products of thiazole, the publication is Journal of Molecular Structure (2013), 153-159, database is CAplus.
Crystal structures of 2-amino-5-methylthiazole (1) and 4-(6-methyl-2-benzothiazolyl) aniline (2) have been determined from laboratory X-ray powder diffraction data along with an anal. of the Hirshfeld surfaces and 2D-fingerprint plots, facilitating a comparison of intermol. interactions. The DFT optimized mol. geometries in (1) and (2) agree closely with those obtained from the crystallog. studies. An interplay of NH···N/S hydrogen bonds and C/NH···π interactions connects the mols. of (1) and (2) into two-dimensional framework. Hirshfeld surface anal. of (1) indicates that the H···H and H···π contacts can account for 56.9% of the Hirshfeld surface area, whereas the corresponding fraction in (2) is 80.5%.
Journal of Molecular Structure published new progress about 92-36-4. 92-36-4 belongs to thiazole, auxiliary class Organic Pigment, name is 2-(4-Aminophenyl)-6-methylbenzothiazole, and the molecular formula is C14H12N2S, Related Products of thiazole.
Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica