SHORT COMMUNICATION DOI: 10.1002/ejic.200701126 Synthesis of Copper Halide Coordination Polymers with Ligands Formed by In Situ Cyclization of 2-Aminopyrimidine and Ethanol Minghui Bi, [a] Guanghua Li, [a] Jia Hua, [a] Yingjie Lin, [a] Junjun Cao, [a] Zhan Shi,* [a] and Shouhua Feng [a] Keywords: Coordination polymers / Copper / Halides / In situ cyclization The design and synthesis of coordination polymers from tran- sition metals and organic ligands have been extensively studied for their crystallographic diversity and potential ap- plications. Recently, the synthesis of coordination polymers by hydro(solvo)thermal in situ metal/ligand reactions has drawn great interest because of its potential to generate novel coordination architectures and new organic reactions. As described in our manuscript, the nitrogen heterocyclic Introduction Hydro(solvo)thermal in situ metal/ligand reactions, as a new bridge between coordination chemistry and organic synthetic chemistry, [1] are of great interest for the discovery of novel coordination architectures especially those that are inaccessible by direct preparation and organic reac- tions. [2] Although in situ metal/ligand reactions have been extensively investigated for many decades, only a few kinds of organic ligand in situ reactions have been found under hydro(solvo)thermal conditions, such as the transformation of inorganic and organic sulfur, [3c] dehydrogenative carbon– carbon coupling, [3b] hydroxylation of aromatic rings, [3a] and cycloaddition of organic nitriles with azide and ammo- nia. [3d] The exploration of new in situ metal/ligand reactions has remained a challenge for researchers in both coordina- tion and organic chemistry. A few kinds of ligand in situ reaction have been found in copper halides system, [4] but the use of the reduction of Cu 2+ to Cu + is rare relative to the efforts directed towards CuX (X = halide). [5] Because the oxidation ability of XO 4 1– is much stronger than that of Cu 2+ , we used not only the reduction of Cu 2+ to Cu + , but also the reduction of XO 4 1– to X in order to discover novel structures. In this com- munication, we report two examples of the simultaneous redox of Cu 2+ to Cu + and XO 4 1– to X (X = Cl, I) and [a] State Key Laboratory of Inorganic Synthesis & Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012, P. R. China Fax: +86-431-85168624 E-mail: zshi@mail.jlu.edu.cn Supporting information for this article is available on the WWW under http://www.eurjic.org or from the author. Eur. J. Inorg. Chem. 2008, 1035–1038 © 2008 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim 1035 2,3-dihydroimidazo[1,2-a]pyrimidine (C 6 H 7 N 3 ) ligand was synthesized by an in situ reaction starting from 2-amino- pyrimidine and ethanol. At the same time, two luminescent copper halide coordination polymers, (CuCl) 3 C 6 H 7 N 3 and (CuI) 2 C 6 H 7 N 3 , were assembled under solvothermal condi- tions. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008) their self-assembly under solvothermal conditions to afford luminescent a copper(I) layer and a chain polymer, (CuCl) 3 - C 6 H 7 N 3 (1) and (CuI) 2 C 6 H 7 N 3 (2) (C 6 H 7 N 3 = 2,3-dihy- droimidazo[1,2-a]pyrimidine), respectively. We found an in situ cycloaddition of 2-aminopyrimidine and EtOH. Results and Discussion Single-crystal X-ray structure analysis of the two com- pounds showed that compound 1 is a two-dimensional in- organic–organic CuCl coordination polymer and that com- pound 2 is a one-dimensional hybrid CuI chain. The struc- ture of compound 1 can be decomposed into two parts of crystallographically independent metal atom centers (Fig- ure 1). The Cu center, a Cl atom, and the ligand make up a metal–ligand chain, and the Cu center adopts a distorted tetrahedral geometry coordinated to two Cl atoms and two N atoms from the ligand. The other part of the structure is a (CuCl) 6 chain, which is constructed by combination of two chair-shaped trinuclear Cu 3 Cl 3 units that are joined through six Cl anions. The unit structure feature of the chain is similar to the double six-membered (D6R, hexago- nal prism) rings found in zeolites, and this structure is an important and attractive unit in zeolites. [6] As shown in Fig- ure 1, each metal–ligand chain connects two double six- membered rings through the Cl atoms to form the 2D grid of compound 1. The structure of compound 2 is a zigzag ladder chain; each copper cation serves as a tetrahedral co- ordination site where each iodine anion is coordinated to three copper cations (Figure 2). This structure can be attributed to the ligand, and it is different from other ladder