Filley Jonathan
Oligometrics, Inc., 2510 47th Street, Suite 208, Boulder, CO, 80301, USA.
Acta Crystallogr E Crystallogr Commun. 2025 Jan 1;81(Pt 1):38-41. doi: 10.1107/S2056989024011915.
The X-ray crystal structure of a multi-aromatic substituted 1,2,3-triazole is presented, which shows an extensive three-dimensional hydrogen-bonding network involving two water mol-ecules and two aceto-nitrile mol-ecules. The structure of 4-{[(4-{[1-({(3,4-di-meth-oxy-phen-yl)meth-ylcarbamo-yl}meth-yl)-1-1,2,3-triazol-4-yl]meth-oxy}-3-meth-oxy-phen-yl)meth-yl]amino}-benzoic acid-aceto-nitrile-water (1/2/2), CHNO·2CHN·2HO, features amine-linked aromatic groups that have a variety functionality including a carb-oxy-lic acid, an acetamido group, and meth-oxy ethers. All -H groups, and seven out of ten heteroatoms with available lone-pair electrons, participate in hydrogen bonding, with the aid of dimer-bridging water mol-ecules and aceto-nitrile mol-ecules whose methyl groups form close contacts with oxygen atoms. The triazole itself is a dimer made using click chemistry from readily available and inexpensive starting materials and is a precursor to larger oligomers, as well as to compounds with a wide array of readily manipulated functionality.
本文给出了一种多芳基取代的1,2,3 - 三唑的X射线晶体结构，该结构显示出一个广泛的三维氢键网络，涉及两个水分子和两个乙腈分子。4-{[(4-{[1-({[(3,4 - 二甲氧基苯基)甲基](3 - 乙酰氨基苯基)氨基甲酰基}甲基)-1,2,3 - 三唑 - 4 - 基]甲氧基}-3 - 甲氧基苯基)甲基]氨基}-苯甲酸 - 乙腈 - 水(1/2/2)，CHNO·2CHN·2HO的结构具有胺连接的芳基，这些芳基具有多种官能团，包括羧酸、乙酰氨基和甲氧基醚。所有的 -H基团以及十个具有孤对电子的杂原子中的七个，借助二聚体桥连水分子和乙腈分子参与氢键形成，乙腈分子的甲基与氧原子形成紧密接触。三唑本身是通过点击化学由易得且廉价的起始原料制成的二聚体，是更大寡聚物以及具有多种易于操控官能团的化合物的前体。
