Mahesha Ninganayaka, Yathirajan Hemmige S, Nagma Banu Holalagudu A, Kalluraya Balakrishna, Foro Sabine, Glidewell Christopher
Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysuru-570 006, India.
Department of Studies in Chemistry, Mangalore University, Mangalagangotri, Mangalore-574199, India.
Acta Crystallogr E Crystallogr Commun. 2021 Apr 9;77(Pt 5):504-511. doi: 10.1107/S2056989021003637. eCollection 2021 May 1.
Crystal structures are reported for three amides containing -benzo[]thia-zole substituents. In -(benzo[]thia-zol-6-yl)-3-bromo-benzamide, CHBrNOS, where the two ring systems are nearly parallel to one another [dihedral angle = 5.8 (2)°], the mol-ecules are linked by N-H⋯O and C-H⋯N hydrogen bonds to form ribbons of (19) rings, which are linked into sheets by short Br⋯Br inter-actions [3.5812 (6) Å]. -(6-Meth-oxy-benzo[]thia-zol-2-yl)-2-nitro-benzamide, CHNOS, crystallizes with ' = 2 in space group 2: the dihedral angles between the ring systems [46.43 (15) and 66.35 (13)°] are significantly different in the independent mol-ecules and a combination of two N-H⋯N and five C-H⋯O hydrogen bonds links the mol-ecules into a three-dimensional network. The mol-ecules of 5-cyclo-propyl--(6-meth-oxy-ben-zo[]thia-zol-2-yl)-isoxazole-3-carboxamide, CHNOS, exhibit two forms of disorder, in the meth-oxy group and in the cyclo-propyl-isoxazole unit; symmetry-related pairs of mol-ecules are linked into dimers by pairwise N-H⋯N hydrogen bonds. Comparisons are made with the structures of some related compounds.
报道了三种含有苯并噻唑取代基的酰胺的晶体结构。在α-(苯并噻唑-6-基)-3-溴苯甲酰胺（CHBrNOS）中，两个环系统几乎相互平行[二面角 = 5.8 (2)°]，分子通过N-H⋯O和C-H⋯N氢键连接形成(19)环的带状结构，这些带状结构通过短的Br⋯Br相互作用[3.5812 (6) Å]连接成片层。α-(6-甲氧基苯并噻唑-2-基)-2-硝基苯甲酰胺（CHNOS）在空间群2中以' = 2结晶：在独立分子中，环系统之间的二面角[46.43 (15)和66.35 (13)°]有显著差异，两个N-H⋯N和五个C-H⋯O氢键的组合将分子连接成三维网络。5-环丙基-α-(6-甲氧基苯并噻唑-2-基)异恶唑-3-甲酰胺（CHNOS）的分子在甲氧基和环丙基异恶唑单元中表现出两种无序形式；对称相关的分子对通过成对的N-H⋯N氢键连接成二聚体。并与一些相关化合物的结构进行了比较。
