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

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.