Published in
Elsevier, Inorganic Chemistry Communications, 3(6), p. 270-273
DOI: 10.1016/s1387-7003(02)00744-x
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Two intra-molecular inter-ligand C(aromatic)–H⋯O(carboxyl) interactions reinforce the formation of a single Cu(II)–N4(pza) bond in the molecular recognition between pyrazine-2-carboxamide (pza) and the (iminodiacetato)copper(II) chelate. Synthesis, molecular and crystal structure and properties of [Cu(IDA)(pza)(H 2 O)]·H 2 O
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Duane Choquesillo-Lazarte ,
Rosa Carballo,
Alfonso Castiñeiras,
Juan Niclós-Gutiérrez
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Abstract
Aqua(pyrazine-2-carboxamide)(iminodiacetato)copper(II) monohydrate, [Cu(IDA)(pza)(H2O)]·H2O, was synthesised and characterised by thermal, spectral, magnetic and X-ray diffraction methods. Its crystal structure was solved to a final R1=0.058. The Cu(II) atom exhibits a square base pyramidal coordination (type 4+1) with IDA ligand in mer-tridentate configuration [Cu–N(aliphatic) 1.986(7), Cu–O(carboxyl) 1.933(6) and 1.938(5) Å], the Cu–N4(pza) bond [1.984(7) Å] and Cu–O(apical aqua) bond [2.347(8) Å]. The N4-monodentate ligand role of pza is in contrast with that of the N,O-bidentate pza-Cu(II) chelation in [Cu(pza)2(ClO4)2] or [Cu(acac)(pza)(ClO4)]·H2O. In the molecular recognition between Cu(IDA) chelate and pza the Cu–N4(pyridine-like) coordination mode is preferred because it enables the additional contribution of two weak intra-molecular inter-ligand C(aromatic)–H⋯O (IDA) interactions.