当前位置: X-MOL 学术J. Chem. Crystallogr. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Synthesis Crystal Structure and Spectral Properties of New Sulfonamides
Journal of Chemical Crystallography ( IF 0.4 ) Pub Date : 2021-01-20 , DOI: 10.1007/s10870-021-00878-1
Muhammad Danish , Arusa Akhtar , Muhammad Ashfaq , Muhammad Nadeem Arshad , Abdullah M. Asiri

In this paper, we report new sulfonamide derivatives, 4-((2,4-dichlorophenylsulfonamido)methyl)cyclohexanecarboxylic acid (1), ethyl 4-((naphthalene-2-sulfonamido)methyl)cyclohexanecarboxylate (2), and ethyl 4-((2,5-dichlorophenylsulfonamido)methyl)cyclohexanecarboxylate (3). The compounds were and characterized by FTIR, ESI-MS, and X-ray crystallography. Single crystal X-ray diffraction analysis shows that 1 crystallizes in the orthorhombic space group Pbcn, 2 in the monoclinic space group Cc and 3 in the monoclinic space group Cc. All three molecules feature hydrogen bonding. Three sulfonamide derivatives, 4-((2,4-dichlorophenylsulfonamido)methyl)cyclohexanecarboxylic acid (1), ethyl 4-((naphthalene-2-sulfonamido)methyl)cyclohexanecarboxylate (2) and ethyl 4-((2,5-dichlorophenylsulfonamido) methyl)cyclo-hexanecarboxylate (3) have been synthesized and their structures confirmed by single crystal X-ray diffraction. Hydrogen bonding in compound 1 involves carboxylic groups and N–H moieties as well as non-classical C–H···O interactions, while in 2 and 3, the N–H moiety and an oxygen atom of the sulfonamide functional group of neighboring molecules are involved.

中文翻译:

新型磺胺类化合物的合成晶体结构和光谱性质

在本文中,我们报告了新的磺酰胺衍生物、4-((2,4-dichlorophenylsulfonamido)methyl) 环己烷甲酸 (1)、4-((naphthalene-2-sulfonamido)methyl) 环己烷甲酸乙酯 (2) 和 4- ((2,5-二氯苯基磺酰氨基)甲基)环己烷羧酸酯(3)。化合物通过 FTIR、ESI-MS 和 X 射线晶体学进行表征。单晶X射线衍射分析表明,1在正交空间群Pbcn中结晶,2在单斜空间群Cc中结晶,3在单斜空间群Cc中结晶。所有三个分子都具有氢键。三种磺酰胺衍生物,4-((2,4-二氯苯基磺酰氨基)甲基)环己烷甲酸(1)、4-((萘-2-磺酰氨基)甲基)环己烷甲酸乙酯(2)和4-((2, 已经合成了 5-二氯苯基磺酰氨基)甲基)环己烷羧酸酯 (3) 并通过单晶 X 射线衍射证实了它们的结构。化合物 1 中的氢键涉及羧基和 N-H 部分以及非经典的 C-H···O 相互作用,而在 2 和 3 中,N-H 部分和相邻磺酰胺官能团的氧原子分子参与。
更新日期:2021-01-20
down
wechat
bug