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

Authors :
Sow, Salif
Thiam, Mariama
Odame, Felix
Thiam, Elhadj Ibrahima
Diouf, Ousmane
Ellena, Javier
Gaye, Mohamed
Tshentu, Zenixole
Source :
Acta Crystallographica Section E: Crystallographic Communications; May2024, Vol. 80 Issue 6, p663-666, 8p
Publication Year :
2024

Abstract

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 C<subscript>15</subscript>H<subscript>10</subscript>BrN<subscript>3</subscript>OS<subscript>2</subscript>, 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 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-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 S(6) ring. In the crystal, pairs of adjacent mol-ecules inter-act via inter-molecular hydrogen bonds of type C-H⋯N, C-H⋯S and N-H⋯S, resulting in mol-ecular layers parallel to the ac plane. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
80
Issue :
6
Database :
Complementary Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
177737868
Full Text :
https://doi.org/10.1107/S2056989024004742