Synthesis, crystal structure and theoretical studies of 1-sulfonyl-1,2,3-triazole derivatives

被引：2

作者：

Cervantes-Reyes, Alejandro ^{[1
,5
]}

Garcia-Vanegas, Juan Jose ^{[1
,2
]}

Mendez-Barbosa, Yuly Natalia ^{[3
]}

Pinzon-Godoy, Juan Andres ^{[3
]}

Benavides-Melo, Julie ^{[3
]}

Martinez-Otero, Diego ^{[1
,4
]}

Unnamatla, M. V. Basavanag ^{[1
,2
]}

Cuevas-Yanez, Erick ^{[1
,2
]}

机构：

[1] Univ Autonoma Estado Mexico, Ctr Conjunto Invest Quim Sustentable UAEM UNAM, Carretera Toluca Atlacomulco Km 14-5, Toluca 50200, Estado De Mexic, Mexico

[2] Univ Autonoma Estado Mexico, Fac Quim, Toluca 50120, Estado De Mexic, Mexico

[3] Univ Pedag Nacl, Fac Ciencia & Tecnol, Dept Quim, Calle 72 11-86, Bogota, Colombia

[4] Univ Nacl Autonoma Mexico, Inst Quim, Circuito Exterior SN,Ciudad Univ, Ciudad De Mexico 04510, Mexico

[5] Rutgers State Univ, Dept Chem, 73 Warren St, Newark, NJ 07102 USA

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2023年 / 1276卷

关键词：

1-Sulfonyl-1; 2; 3-triazole; Crystal structure; Density functional theory; SPECTROSCOPIC CHARACTERIZATIONS; DFT CALCULATIONS; EFFICIENT; SULFONYL; AZIDES; 1,2,3-TRIAZOLES; CHEMISTRY; PYRROLE; ALKYL;

D O I：

10.1016/j.molstruc.2022.134806

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The first crystal structures of 1-sulfonyl-1,2,3-triazoles are described and studied by X-ray diffraction anal-yses. The referred compounds displayed C-H middotmiddotmiddotO and C-H middotmiddotmiddotN interactions on 1,2,3-triazole moiety, which are involved in a zigzag arrangement along the edge plane observed in these structures. The sulfonyl group has a high electrophilic character, which is increased by electronegative atoms, and is likely the cause of the sulfonyl group's significant reactivity compared to other five-membered heterocyclic rings, according to theoretical studies of molecular and electronic properties determined on 1-sulfonyl-1,2,3-triazoles.(c) 2022 Elsevier B.V. All rights reserved.

引用

页数：12

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