Crystal structure of 1-(1,3-benzothiazol-2-yl)-3-(4- bromobenzoyl)thiourea.

Autor: Sow, Salif, Thiam, Mariama, Odame, Felix, Thiam, Elhadj Ibrahima, Diouf, Ousmane, Ellen, Javier, Gaye, Mohamed, Tshentu, Zenixole
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Jun2024, Vol. 80 Issue 7, Following p663-666, 6p
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index