Hazra, Dipak K.’s team published research in Journal of Molecular Structure in 1039 | CAS: 92-36-4

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.

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