（）-4-氯-'-（4-氧代-噻唑烷-2-亚基）苯磺酰肼一水合物的晶体结构与 Hirshfeld 表面分析
Crystal structure and Hirshfeld surface analysis of ()-4-chloro-'-(4-oxo-thia-zol-idin-2-yl-idene)benzene-sulfono-hydrazide monohydrate.
作者信息
Pai Nikhila, Foro Sabine, Thimme Gowda B
机构信息
Department of Chemistry, Mangalore University, Mangalagangotri 574 199, Mangalore, India.
Institute of Materials Science, Darmstadt University of Technology, Alarich-Weiss-Str. 2, D-64287, Darmstadt, Germany.
出版信息
Acta Crystallogr E Crystallogr Commun. 2018 Oct 12;74(Pt 11):1569-1573. doi: 10.1107/S2056989018013658. eCollection 2018 Nov 1.
The asymmetric unit of the title thia-zole derivative containing a sulfonyl-hydrazinic moiety, CHClNOS·HO, consists of two independent mol-ecules and two water mol-ecules. The central parts of the mol-ecules are twisted as both the mol-ecules are bent at both the S and N atoms. In the crystal, N-H⋯N, N-H⋯O, C-H⋯O and O-H⋯O hydrogen-bonding inter-actions connect the mol-ecules, forming layers parallel to the plane. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from O⋯H/H⋯O (32.9%) and H⋯H (22.6%) inter-actions.
该含磺酰肼基部分的噻唑衍生物（CHClNOS·HO）的不对称单元由两个独立分子和两个水分子组成。两个分子的中心部分均发生扭曲，因为两个分子在S和N原子处均发生弯曲。在晶体中，N-H⋯N、N-H⋯O、C-H⋯O和O-H⋯O氢键相互作用将分子连接起来，形成平行于 平面的层。与 Hirshfeld 表面相关的二维指纹图谱表明，对晶体堆积贡献最大的是O⋯H/H⋯O（32.9%）和H⋯H（22.6%）相互作用。
Zotero 插件