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和Hirshfeld表面分析。

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-09-01 DOI:10.1107/S2056989025006656

Sundarasamy Madhan , MohamedHanifa NizamMohideen , Vinayagam Pavunkumar , Arasambattu K. MohanaKrishnan

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引用次数: 0

摘要

合成了两个新的苯磺酰衍生物N-（2-碘-苯基）苯磺酰胺C12H10INO2 (I)和N-（4,5-二氟-2-碘-苯基）苯磺酰胺C12H8F2INO2S (II)，并对其进行了结构表征。在这两种分子结构中，-SO2-NH-C段的N-C键相对于S=O键的构象是扭式的。对于(I)，晶体填充由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]的链。在（II）的情况下，分子通过N-H⋯O(S)氢键连接成位于反转中心的二聚体。这些发现与Hirshfeld表面分析的结果一致。

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

N-(2-Iodophenyl)benzenesulfonamide, C₁₂H₁₀INO₂, and N-(4,5-difluoro-2-iodophenyl)benzenesulfonamide, C₁₂H₈F₂INO₂S differ only in the replacement of two H atoms by F atoms, which changes the symmetry from P2₁/c to P1 and is accompanied by different molecular conformations and packing features.

Two new benzenesulfonyl derivatives, N-(2-iodophenyl)benzenesulfonamide, C₁₂H₁₀INO₂, (I), and N-(4,5-difluoro-2-iodophenyl)benzenesulfonamide, C₁₂H₈F₂INO₂S, (II) were synthesized and structurally characterized. In both molecular structures, the conformation of the N—C bond in the –SO₂—NH—C segment is gauche relative to the S=O bond. For (I), the crystal packing is dominated by N—H⋯O hydrogen-bonding interactions that link the molecules into chains extending parallel to [010]. In the case of (II), the molecules 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.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.