Abosadiya Hamza M, Hasbullah Siti Aishah, Yamin Bohari M, Fadzil Adibatul H
School of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor D.E. , Malaysia.
Low Carbon Research Group, School of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor D.E. , Malaysia.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 21;70(Pt 6):o685. doi: 10.1107/S1600536814011209. eCollection 2014 Jun 1.
The title compound, C10H10BrClN2OS, adopts a trans-cis conformation with respect to the position of the 3-chloro-propanoyl and 4-bromo-phenyl groups, respectively, against the thiono C=S bond across their C-N bonds. The benzene ring makes a dihedral angle of 9.55 (16)° with the N2CS thio-urea moiety. Intra-molecular N-H⋯O and C-H⋯S hydrogen bonds occur. In the crystal, mol-ecules are linked into chains along the c-axis direction by N-H⋯S, C-H⋯S and C-H⋯O hydrogen bonds.
标题化合物C10H10BrClN2OS相对于3-氯丙酰基和4-溴苯基的位置分别采取反式-顺式构象，它们通过C-N键与硫酮C=S键相对。苯环与N2CS硫脲部分形成9.55 (16)°的二面角。分子内存在N-H⋯O和C-H⋯S氢键。在晶体中，分子通过N-H⋯S、C-H⋯S和C-H⋯O氢键沿c轴方向连接成链。
