Sow Salif, Thiam Mariama, Odame Felix, Thiam Elhadj Ibrahima, Diouf Ousmane, Ellena Javier, Gaye Mohamed, Tshentu Zenixole
Département de Chimie, Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar, Senegal.
Department of Chemistry, Nelson Mandela University, Port Elizabeth, South Africa.
Acta Crystallogr E Crystallogr Commun. 2024 May 31;80(Pt 6):663-666. doi: 10.1107/S2056989024004742. eCollection 2024 May 1.
The chemical reaction of 4-bromo-benzoyl-chloride and 2-amino-thia-zole in the presence of potassium thio-cyanate yielded a white solid formulated as CHBrNOS, which consists of 4-bromo-benzamido and 2-benzo-thia-zolyl moieties connected by a thio-urea group. The 4-bromo-benzamido and 2-benzo-thia-zolyl moieties are in a conformtion (sometimes also called -trans due to the single bond) with respect to the N-C bond. The dihedral angle between the mean planes of the 4-bromo-phenyl and the 2-benzo-thia-zolyl units is 10.45 (11)°. The thio-urea moiety, -C-NH-C(=S) -NH- fragment forms a dihedral angle of 8.64 (12)° with the 4-bromo-phenyl ring and is almost coplanar with the 2-benzo-thia-zolyl moiety, with a dihedral angle of 1.94 (11)°. The mol-ecular structure is stabilized by intra-molecular N-H⋯O hydrogen bonds, resulting in the formation of an (6) ring. In the crystal, pairs of adjacent mol-ecules inter-act inter-molecular hydrogen bonds of type C-H⋯N, C-H⋯S and N-H⋯S, resulting in mol-ecular layers parallel to the plane.
4-溴苯甲酰氯与2-氨基噻唑在硫氰酸钾存在下发生化学反应，生成一种白色固体，其化学式为CHBrNOS，它由通过硫脲基团连接的4-溴苯甲酰胺基和2-苯并噻唑基部分组成。4-溴苯甲酰胺基和2-苯并噻唑基部分相对于N-C键呈一种构象（由于单键有时也称为反式）。4-溴苯基和2-苯并噻唑基单元平均平面之间的二面角为10.45 (11)°。硫脲部分，-C-NH-C(=S)-NH-片段与4-溴苯环形成8.64 (12)°的二面角，并且与2-苯并噻唑基部分几乎共面，二面角为1.94 (11)°。分子结构通过分子内N-H⋯O氢键得以稳定，从而形成一个(6)环。在晶体中，相邻分子对通过C-H⋯N、C-H⋯S和N-H⋯S型分子间氢键相互作用，形成平行于平面的分子层。
