4-氰基-[(4-氰基苯基)磺酰基]-[2-(5-甲基呋喃-2-基)苯基]苯磺酰胺的晶体结构与 Hirshfeld 表面分析
Crystal structure and Hirshfeld surface analysis of 4-cyano--[(4-cyano-phen-yl)sulfon-yl]--[2-(5-methyl-furan-2-yl)phen-yl]benzene-sulfonamide.
作者信息
Mammadova Gunay Z, Yakovleva Elizaveta D, Burkin Gleb M, Khrustalev Victor N, Akkurt Mehmet, Çelikesir Sevim Türktekin, Bhattarai Ajaya
机构信息
Organic Chemistry Department, Baku State University, Z. Xalilov Str. 23, Az 1148 Baku, Azerbaijan.
Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., Moscow, 117198, Russian Federation.
出版信息
Acta Crystallogr E Crystallogr Commun. 2023 Jul 21;79(Pt 8):747-751. doi: 10.1107/S2056989023006254. eCollection 2023 Jul 1.
In the title compound, CHNOS, intra-molecular π-π inter-actions [centroid-to-centroid distance = 3.5640 (9) Å] are observed between the furan and benzene rings of the 4-cyano-phenyl group. In the crystal, mol-ecules are connected C-H⋯O and C-H⋯N hydrogen bonds, forming layers parallel to the (100) plane. These layers are inter-connected by C-H⋯π inter-actions and weak van der Waals inter-actions. Hirshfeld surface analysis indicates that H⋯H (30.2%), N⋯H/H⋯N (22.3%), C⋯H/H⋯C (17.9%) and O⋯H/H⋯O (15.4%) inter-actions make the most significant contributions to the crystal packing.
在标题化合物CHNOS中，观察到4-氰基苯基的呋喃环和苯环之间存在分子内π-π相互作用（质心到质心距离 = 3.5640 (9) Å）。在晶体中，分子通过C-H⋯O和C-H⋯N氢键相连，形成平行于(100)平面的层。这些层通过C-H⋯π相互作用和弱范德华相互作用相互连接。 Hirshfeld表面分析表明，H⋯H（30.2%）、N⋯H/H⋯N（22.3%）、C⋯H/H⋯C（17.9%）和O⋯H/H⋯O（15.4%）相互作用对晶体堆积的贡献最为显著。
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