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噻吩衍生物5-(苯基磺酰基)-5,6-二氢苯并[4,5]噻吩并[3,2-b]菲啶和(±)-{2-[2-(苯并[b]噻吩-2-基)乙烯基]苯基}-(丙-2-炔-1-基)苯磺酰胺的合成、晶体结构及 Hirshfeld 表面分析

The synthesis, crystal structure and Hirshfeld surface analysis of the thio-phene derivatives 5-(phenyl-sulfon-yl)-5,6-di-hydro-benzo[4,5]thieno[3,2-]phenanthridine and ()--{2-[2-(benzo[]thiophen-2-yl)ethenyl]phen-yl}--(prop-2-yn-1-yl)benzene-sulfonamide.

作者信息

Madhan S, NizamMohideen M, Pavunkumar Vinayagam, MohanaKrishnan Arasambattu K

机构信息

Department of Physics, The New College, Chennai 600 014, University of Madras, Tamil Nadu, India.

Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai-600 025, Tamilnadu, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 May 5;79(Pt 6):521-525. doi: 10.1107/S2056989023003821. eCollection 2023 May 1.

DOI:10.1107/S2056989023003821
PMID:37288467
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10242738/
Abstract

In both of the title compounds, CHNOS, (), and CHNOS, (), the benzo-thio-phene rings are essentially planar with maximum deviations of 0.026 (1) and -0.016 (1) Å for the carbon and sulfur atoms in compounds () and (), respectively. In (), the thio-phene ring system is almost orthogonal to the phenyl ring attached to the sulfonyl group, subtending a dihedral angle of 88.1 (1)°, and the di-hydro-pyridine ring adopts a screw-boat conformation. In both compounds, the mol-ecular structure is consolidated by weak C-H⋯O intra-molecular inter-actions formed by the sulfone oxygen atoms, which generate (5) ring motifs. In the crystal of , mol-ecules are linked C-H⋯O hydrogen bonds, generating (7) chains running along the [100] direction. No significant inter-molecular inter-actions are observed in .

摘要

在两种标题化合物CHNOS()和CHNOS()中,苯并噻吩环基本呈平面状,化合物()和()中碳原子和硫原子的最大偏差分别为0.026(1) Å和 -0.016(1) Å。在()中,噻吩环系统与连接到磺酰基的苯环几乎正交,二面角为88.1(1)°,二氢吡啶环呈扭曲船式构象。在这两种化合物中,分子结构通过由砜氧原子形成的弱C-H⋯O分子内相互作用得以巩固,形成了(5)环基序。在的晶体中,分子通过C-H⋯O氢键相连,形成沿[100]方向延伸的(7)链。在中未观察到明显的分子间相互作用。

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