Pai Nikhila, Foro Sabine, Gowda B Thimme
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.
Acta Crystallogr E Crystallogr Commun. 2018 Nov 22;74(Pt 12):1826-1832. doi: 10.1107/S2056989018016237. eCollection 2018 Dec 1.
The crystal structures and Hirshfeld surface analyses of three Schiff bases, namely ()-'-[4-(piperidin-1-yl)benzyl-idene]benzene-sulfono-hydrazide, CHNOS, (I), ()-4-methyl-'-[4-(piperidin-1-yl)benzyl-idene]benzene-sulfono-hydrazide, CHNOS, (II), and ()-4-chloro-'-[4-(piperidin-1-yl)benzyl-idene]benzene-sulfono-hydrazide, CHClNOS, (III), derived from aryl-sulfono-hydrazides and 4-(piperidin-4-yl)benzaldehyde have been analysed to investigate the effect of substituents on the structural parameters. All three structures crystallize in monoclinic crystal systems, in the space groups 2/ for (I) and (II), and 2/ for (III). Compound (III) contains two independent mol-ecules in the asymmetric unit and sixteen mol-ecules per unit cell, while (I) and (II) both have one and four mol-ecules, respectively, in their asymmetric units and unit cells. In all cases, the central part of the mol-ecule is twisted at the S atom. In the crystals, the mol-ecules are linked N-H⋯O hydrogen bonds, forming chains. Two-dimensional fingerprint plots of various inter-atomic contacts show that the major contributions are from H⋯H inter-actions.
对三种席夫碱，即()-'-[4-(哌啶-1-基)亚苄基]苯磺酰肼（CHNOS，(I)）、()-4-甲基-'-[4-(哌啶-1-基)亚苄基]苯磺酰肼（CHNOS，(II)）和()-4-氯-'-[4-(哌啶-1-基)亚苄基]苯磺酰肼（CHClNOS，(III)）的晶体结构和 Hirshfeld 表面分析进行了研究，以考察取代基对结构参数的影响。所有三种结构均结晶于单斜晶系，(I)和(II)的空间群为 2/，(III)的空间群为 2/。化合物(III)在不对称单元中包含两个独立分子，每个晶胞中有 16 个分子，而(I)和(II)在其不对称单元和晶胞中分别有一个和四个分子。在所有情况下，分子的中心部分在 S 原子处发生扭曲。在晶体中，分子通过 N-H⋯O 氢键相连，形成链状结构。各种原子间接触的二维指纹图谱表明，主要贡献来自 H⋯H 相互作用。
