Crystal structure of 1-(1,3-benzothiazol-2-yl)-3-(4-bromobenzoyl)thiourea.
SOW, Salif; THIAM, Mariama; ODAME, Felix; THIAM, Elhadj Ibrahima; DIOUF, Ousmane; ELLENA, Javier; GAYE, Mohamed; TSHENTU, Zenixole.
SOW, Salif; THIAM, Mariama; ODAME, Felix; THIAM, Elhadj Ibrahima; DIOUF, Ousmane; ELLENA, Javier; GAYE, Mohamed; TSHENTU, Zenixole.
Abstract: The chemical reaction of 4-bromobenzoylchloride and 2-aminothiazole in the presence of potassium thiocyanate yielded a white solid formulated as C15H10BrN3OS2, which consists of 4-bromobenzamido and 2-benzothiazolyl moieties connected by a thiourea group. The 4-bromobenzamido and 2-benzothiazolyl moieties are in a trans conformtion (sometimes also called s-trans due to the single bond) with respect to the N-C bond. The dihedral angle between the mean planes of the 4-bromophenyl and the 2-benzothiazolyl units is 10.45 (11)°. The thiourea moiety, -C-NH-C(=S) -NH- fragment forms a dihedral angle of 8.64 (12)° with the 4-bromophenyl ring and is almost coplanar with the 2-benzothiazolyl moiety, with a dihedral angle of 1.94 (11)°. The molecular structure is stabilized by intramolecular N-H...O hydrogen bonds, resulting in the formation of an S(6) ring. In the crystal, pairs of adjacent molecules interact via intermolecular hydrogen bonds of type C-H...N, C-H...S and N-H...S, resulting in molecular layers parallel to the ac plane.
@article={003197742,author = {SOW, Salif; THIAM, Mariama; ODAME, Felix; THIAM, Elhadj Ibrahima; DIOUF, Ousmane; ELLENA, Javier; GAYE, Mohamed; TSHENTU, Zenixole.},title={Crystal structure of 1-(1,3-benzothiazol-2-yl)-3-(4-bromobenzoyl)thiourea},journal={Acta Crystallographica E},note={v. 80, part 6},year={2024}}