Khosa Muhammad Kaleem, Wood Paul T, Humphrey Simon M, Harrison William T A
Department of Chemistry, Government College University, Faisalabad 38000, Pakistan.
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, England.
Acta Crystallogr C Struct Chem. 2016 Jan;72(Pt 1):63-7. doi: 10.1107/S205322961502330X. Epub 2016 Jan 1.
Compounds containing copper(I) are of interest for their role in biological processes. The nature of short (< ∼ 3.2 Å) Cu...Cu contacts within these compounds has been debated, being either described as weakly attractive (bonding) cuprophilic' interactions, or simply as short metal-metal distances constrained by ligand geometry or largely ionic in nature. The title three-dimensional Cu(+)-containing coordination polymer, [Cu3(C7H7N2O2)Cl2]n, was formed from the in situ reduction of CuCl2 in the presence of 3,5-diaminobenzoic acid and KOH under hydrothermal conditions. Its complex crystal structure contains ten distinct Cu(I) atoms, two of which lie on crystallographic inversion centres. The copper coordination geometries include near-linear CuOCl and CuN2, T-shaped CuOCl2 and distorted tetrahedral CuOCl3 groups. Each Cu(I) atom is also associated with two adjacent metal atoms, with Cu...Cu distances varying from 2.7350 (14) to 3.2142 (13) Å; if all these are regarded as cuprophilic' interactions, then infinite [-101] zigzag chains of Cu(I) atoms occur in the crystal. The structure is consolidated by N-H...Cl hydrogen bonds.
含铜（I）的化合物因其在生物过程中的作用而备受关注。这些化合物中短（< ∼ 3.2 Å）的Cu...Cu接触的性质一直存在争议，要么被描述为弱吸引性（键合）的“亲铜”相互作用，要么仅仅被视为受配体几何结构限制的短金属 - 金属距离，或者本质上主要是离子性的。标题化合物三维含Cu（+）配位聚合物[Cu3(C7H7N2O2)Cl2]n是在水热条件下，由3,5 - 二氨基苯甲酸和KOH存在时CuCl2的原位还原形成的。其复杂的晶体结构包含十个不同的Cu（I）原子，其中两个位于晶体学反演中心。铜的配位几何结构包括近线性的CuOCl和CuN2、T形的CuOCl2以及扭曲的四面体CuOCl3基团。每个Cu（I）原子还与两个相邻的金属原子相连，Cu...Cu距离在2.7350（14）至3.2142（13）Å之间变化；如果将所有这些都视为“亲铜”相互作用，那么晶体中会出现无限的[-101]锯齿状Cu（I）原子链。该结构通过N - H...Cl氢键得以巩固。
