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两种新型噻吩衍生物的晶体结构测定和 Hirshfeld 表面分析:()-{-2-[2-(苯并[b]噻吩-2-基)乙烯基]-5-氟苯基}苯磺酰胺和()-{-2-[2-(苯并[b]噻吩-2-基)乙烯基]-5-氟苯基}-(丁-2-炔-1-基)苯磺酰胺

Crystal-structure determination and Hirshfeld surface analysis of two new thio-phene derivatives: ()--{2-[2-(benzo[]thio-phen-2-yl)ethen-yl]-5-fluoro-phen-yl}benzene-sulfonamide and ()--{2-[2-(benzo[]thio-phen-2-yl)ethen-yl]-5-fluoro-phen-yl}--(but-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 Jul 21;79(Pt 8):741-746. doi: 10.1107/S2056989023006096. eCollection 2023 Jul 1.

Abstract

In the title compounds, CHFNOS () and CHFNOS (), the benzo-thio-phene rings are essentially planar with maximum deviations of 0.009 (1) and 0.001 (1) Å for the carbon and sulfur atom in compounds and , respectively. In , the thio-phene ring system is almost orthogonal to the phenyl ring attached to the sulfonyl group, with a dihedral angle of 77.7 (1)°. In compound , the mol-ecular structure is stabilized by weak C-H⋯O intra-molecular inter-actions formed by the sulfone oxygen atoms, which generate two (5) ring motifs. In the crystal of , N-H⋯O hydrogen bonds link the mol-ecules into (8) rings, which are connected into a (10) chain C-H⋯F hydrogen bonds. Inter-molecular C-H⋯π inter-actions are also observed. In compound , the mol-ecules are linked C-H⋯O and C-H⋯F hydrogen bonding, generating infinite (11) and (13) chains running parallel to [010].

摘要

在标题化合物CHFNOS()和CHFNOS()中,苯并噻吩环基本呈平面状,化合物中碳和硫原子的最大偏差分别为0.009(1)Å和0.001(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77.7(1)°。在化合物中,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稳定,这产生了两个(5)环基序。在的晶体中,N-H⋯O氢键将分子连接成(8)环,这些环通过C-H⋯F氢键连接成一个(10)链。还观察到分子间C-H⋯π相互作用。在化合物中,分子通过C-H⋯O和C-H⋯F氢键相连,形成平行于[010]的无限(11)和(13)链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/914b/10439409/cbbf85c570fc/e-79-00741-fig1.jpg

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