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苯磺酰胺的2-碘苯基和4,5-二氟-2-碘苯基衍生物的晶体结构及 Hirshfeld 表面分析

The crystal structures and Hirshfeld surface analysis of the 2-iodophenyl- and 4,5-difluoro-2-iodophenyl derivatives of benzenesulfonamide.

作者信息

Madhan Sundarasamy, NizamMohideen MohamedHanifa, 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. 2025 Aug 7;81(Pt 9):811-815. doi: 10.1107/S2056989025006656. eCollection 2025 Sep 1.

DOI:10.1107/S2056989025006656
PMID:40918561
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12412697/
Abstract

Two new benzene-sulfonyl derivatives, -(2-iodo-phen-yl)benzene-sulfonamide, CHINO, (), and -(4,5-di-fluoro-2-iodo-phen-yl)benzene-sulfonamide, CHFINOS, () were synthesized and structurally characterized. In both mol-ecular structures, the conformation of the N-C bond in the -SO-NH-C segment is relative to the S=O bond. For (), the crystal packing is dominated by N-H⋯O hydrogen-bonding inter-actions that link the mol-ecules into chains extending parallel to [010]. In the case of (), the mol-ecules are linked by N-H⋯O(S) hydrogen bonds into dimers that are located on centers of inversion. These findings are consistent with the results of Hirshfeld surface analyses.

摘要

合成并表征了两种新的苯磺酰基衍生物，即α-(2-碘苯基)苯磺酰胺，CHINO（）和α-(4,5-二氟-2-碘苯基)苯磺酰胺，CHFINOS（）。在这两种分子结构中，-SO-NH-C片段中N-C键的构象相对于S=O键为[具体角度未给出]。对于（），晶体堆积主要由N-H⋯O氢键相互作用主导，这些相互作用将分子连接成平行于[010]延伸的链。对于（），分子通过N-H⋯O(S)氢键连接成位于对称中心的二聚体。这些发现与 Hirshfeld 表面分析结果一致。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/ab4c01a9c9dd/e-81-00811-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/046a2f9af7f8/e-81-00811-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/8154d1e6d23a/e-81-00811-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/2d46513e10f4/e-81-00811-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/733b5f3fc9ad/e-81-00811-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/1dfdee74a318/e-81-00811-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/ab4c01a9c9dd/e-81-00811-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/046a2f9af7f8/e-81-00811-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/8154d1e6d23a/e-81-00811-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/2d46513e10f4/e-81-00811-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/733b5f3fc9ad/e-81-00811-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/1dfdee74a318/e-81-00811-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6362/12412697/ab4c01a9c9dd/e-81-00811-fig6.jpg

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