Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole.

IF 0.5 Q4 CRYSTALLOGRAPHY
Jonathan Filley
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引用次数: 0

Abstract

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-yl](3-acetamido-phen-yl)carbamo-yl}meth-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}-3-meth-oxy-phen-yl)meth-yl]amino}-benzoic acid-aceto-nitrile-water (1/2/2), C37H38N6O8·2C2H3N·2H2O, features amine-linked aromatic groups that have a variety functionality including a carb-oxy-lic acid, an acetamido group, and meth-oxy ethers. All X-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.

二元溶剂参与的多芳族1,2,3-三唑晶体。
本文报道了一个多芳香取代的1,2,3-三唑的x射线晶体结构,显示了一个包含两个水分子和两个乙腈分子的广泛的三维氢键网络。4-{(4-{[1-{[(3,4-二甲基-氧基苯基)甲基](3-乙酰氨基-苯基)氨基基甲基基)- 1h -1,2,3-三唑-4-基]甲氧基-3-甲基-氧基苯基]氨基}-苯甲酸-乙腈-水(1/2/2),C37H38N6O8·2C2H3N·2H2O的结构,具有氨基连接的芳香基团,具有多种功能,包括碳氧酸、乙酰氨基和甲氧基醚。在二聚体桥接的水分子和甲基与氧原子形成紧密接触的乙腈分子的帮助下,所有的X-H基团和十分之七具有可用的孤对电子的杂原子都参与了氢键。三唑本身是一种二聚体,使用化学反应从现成和廉价的起始材料中获得,是较大的低聚物的前体,以及具有多种易于操作的功能的化合物。
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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