Crystal structure and Hirshfeld surface analysis of 4-methyl-N-[2-(5-methyl­furan-2-yl)phen­yl]-N-[(5-phenyl­furan-2-yl)meth­yl]benzene­sulfonamide

IF 0.6 Q4 CRYSTALLOGRAPHY
Selbi Annadurdyyeva , Anastasia E. Levina , Victor N. Khrustalev , Roya Z. Nazarova , Khudayar I. Hasanov , Nurlana D. Sadikhova , Mehmet Akkurt , Gizachew Mulugeta Manahelohe
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引用次数: 0

Abstract

In the crystal, mol­ecules are linked by C—H⋯O inter­actions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π inter­actions connect mol­ecules within the layers. The layers are also bound to each other by van der Waals inter­actions.
In the title compound, C29H25NO4S, the mol­ecular conformation is stable with intra­molecular C—H⋯O and C—H⋯N inter­actions being observed. In the crystal, mol­ecules are linked by C—H⋯O inter­actions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π inter­actions connect the mol­ecules within the layers. The layers are also bound to each other by van der Waals inter­actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (53.2%), C⋯H/H⋯C (28.9%) and O⋯H/H⋯O (13.8%) contacts.
4-甲基- n-[2-(5-甲基-呋喃-2-基)苯基]- n-[(5-苯基-呋喃-2-基)甲基]苯磺酰胺的晶体结构和Hirshfeld表面分析。
在标题化合物C29H25NO4S中,分子构象稳定,观察到分子内C-H⋯O和C-H⋯N相互作用。在晶体中,分子通过C-H⋯O相互作用连接,形成平行于(100)平面的层。此外,π-π[质心到质心距离= 3.4961 (7)Å]和C-H⋯π相互作用连接了层内的分子。这些层也通过范德华相互作用相互束缚。对晶体结构的Hirshfeld表面分析表明,对晶体堆积最重要的贡献是H⋯H (53.2%), C⋯H/H⋯C(28.9%)和O⋯H/H⋯O(13.8%)接触。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
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.
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