Mohammed, Baba FuguColey, JoeDickinson, Isabella F.Orton, James B.Klooster, WimGleeson, M. PaulJones, Leigh2021-07-282021-07-282021-07-23Mohammed, B.F., Coley, J., Dickinson, I.F., Orton, J.B, Klooster, W., Gleeson, P. and Jones, L.F. (2021) Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(II) 1-D coordination polymers. CrystEngComm, 23(32), pp. 5531-5539. https://doi.org/10.1039/D1CE00807B1466-803310.1039/d1ce00807bhttp://hdl.handle.net/2436/624230© 2021 The Authors. Published by Royal Society of Chemistry. This is an open access article available under a Creative Commons licence. The published version can be accessed at the following link on the publisher’s website: https://doi.org/10.1039/D1CE00807BThe novel multitopic ligands N-hydroxy-4-((2-hydroxy-3-methoxybenzyl)amino)benzamide (L3H3) and N-hydroxy-4-((2- hydroxybenzyl)amino)benzamide (L4H3) have been synthesised through the Schiff base coupling and subsequent reduction of 4-aminophenylhydroxamic acid and either o-vanillin (to give L3H3) or 2-hydroxybenzaldehyde (to give L4H3). These linear multitopic ligands bind Cu(II) centres at both the hydroxamate and phenol ends to form the 1-D coordination polymers [Cu(II)(L3H2)2]n (1) and {[Cu(II)(L4H2)2].2MeOH}n (2). Slight differences in the structures of L3H3 and L4H3 lead to significant extended connectivity changes upon Cu(II) metalation that are exampled by a 27% decrease in intra-chain Cu(II)…Cu(II) distance upon moving from 1 to 2. The significant conformation and metal binding differences shown by L3H2 and L4H2 in 1 and 2 respectively have been rationalised using density functional theory (DFT) calculations. Hirschfeld surface analysis has been employed to assess and visualise the intra- and intermolecular interactions in both complexes.application/pdfenJournal article1466-8033CrystEngComm2021-07-27