Viswanathan Vijayan, Ananth Mani Karthik, Narasimhan S, Velmurugan Devadasan
Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
Department of Chemistry, Asthagiri Herbal Research Foundation, Perungudi Industrial Estate, Perungudi, Chennai 600 096, India.
Acta Crystallogr E Crystallogr Commun. 2017 Jan 1;73(Pt 1):20-23. doi: 10.1107/S2056989016018983.
In the title compounds, CHNOS, (I), and CHNOS, (II), the thio-semicarbazone group adopts an extended conformation. The acetate ester (I) crystallizes with two independent mol-ecules in the asymmetric unit. In the benzoate ester (II), the planes of the two aryl rings are inclined to one another by 46.70 (7)°. In both compounds, there is a short intra-molecular N-H⋯N contact present, forming an (5) ring motif. In the crystals of both compounds, mol-ecules are linked pairs of N-H⋯S hydrogen bonds, forming dimers with (8) ring motifs. The dimers are linked by N-H⋯S and N-H⋯O hydrogen bonds, forming slabs parallel to (01-1). In (I), there are N-H⋯π and C-H⋯π inter-actions present within the slabs, while in (II), there are only N-H⋯π inter-actions present.
在标题化合物CHNOS（I）和CHNOS（II）中，硫代半卡巴腙基团呈伸展构象。乙酸酯（I）在不对称单元中以两个独立分子结晶。在苯甲酸酯（II）中，两个芳环平面相互倾斜46.70（7）°。在这两种化合物中，均存在短的分子内N-H⋯N接触，形成一个（5）环基序。在这两种化合物的晶体中，分子通过N-H⋯S氢键对相连，形成具有（8）环基序的二聚体。二聚体通过N-H⋯S和N-H⋯O氢键相连，形成平行于（01-1）的层板。在（I）中，层板内存在N-H⋯π和C-H⋯π相互作用，而在（II）中，仅存在N-H⋯π相互作用。
