Title

Characterization and Computational Studies of 2-(Benzamido)Thiazol-5-yl Benzoate.

Authors

Odame, F.; Hosten, E.; Betz, R.; Lobb, K.; Tshentu, Z.

Abstract

2-(Benzamido)thiazolylbenzoate is synthesized via a novel method. It is characterized by spectroscopy, micranalysis, and GC-MS. It crystallizes in the monoclinic space group P21/n with a = 19.8990(5), b = 7.3680(2), c = 22.3845(6) Å, β = 113.799(1)°, V = 3002.85(14) Å3Z = 8. The HOMO-LUMO of the reactants and products are considered.

Subjects

BENZOATES; THIAZOLES; SPACE groups; FRONTIER orbitals; BENZOYL chloride; BIOCHEMICAL substrates

Publication

Journal of Structural Chemistry, 2019, Vol 60, Issue 1, p136

ISSN

0022-4766

Publication type

Academic Journal

DOI

10.1134/S0022476619010190