N-(R-nitrophenylsulfonamido)benzoic acids: Synthesis, crystal structures, and Hirshfeld surface study

被引：1

作者：

Bomfim, Lucius F. O. ^{[1
]}

Teixeira, Marden C. F. ^{[1
]}

Rodrigues, Bernardo L. ^{[1
]}

Teixeira, Leticia R. ^{[1
]}

机构：

[1] Univ Fed Minas Gerais, Dept Quim, BR-31270901 Belo Horizonte, MG, Brazil

来源：

CHEMICAL DATA COLLECTIONS | 2023年 / 43卷

关键词：

Nitrosulfonamide; Aminobenzoic acids; X-ray analysis; Hirshfeld surface; SULFONAMIDE DERIVATIVES; POLYMORPHISM; COMPLEXES; DOCKING; DESIGN;

D O I：

10.1016/j.cdc.2022.100974

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Four N-(R-nitrophenylsulfonamido)benzoic acids (NO2-SBA) [o -ABA: HL1 and HL2, m -ABA: HL4 and HL5] were synthesized and characterized by elemental analysis, spectroscopic methods and powder and single crystal X-ray diffraction techniques. The combined NMR and X-ray techniques confirmed the intramolecular N1-H1N & sdot;& sdot;& sdot;O2 hydrogen bond in HL1 and HL2. All crystal structures presented a molecular dimer of the carboxylic moiety of NO2-SB. The interconnections in the crystal structures were analyzed using Hirshfeld surfaces and showed that the O & sdot;& sdot;& sdot;H/H & sdot;& sdot;& sdot;O were the major intermolecular interactions for all crystal structures.

引用

页数：9

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