The synthesis and crystal structure of [NiL(NCS)2] (L = 3-hydroxyethyl-1,3,5,8,12-pentaazacyclotetradecane)

Robert W. Hay*, Thomas J. Cromie, Philip Lightfoot

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)


The reaction of H2CO and H2NCH2CH2OH with the nickel(II) complex of 1,9-diamino-3,7-diazanonane (2,3,2-tet) in the presence of Et3N gives the nickel(II) complex of the macrocycle 3-hydroxyethyl-1,3,5,8,12-pentaazacyclotetradecane (L), which can be readily isolated as the perchlorate salt. The reaction of KCNS with the perchlorate salt in aqueous solution gives [NiL(NCS)2] and the crystal structure of this complex has been determined. The complex is octahedral and trans with the two N-bonded thiocyanates in the axial sites with Ni - NCS bond lengths of 2.106 and 2.145 Å. The equatorial sites are occupied by N2, N5, N8 and N12 with Ni - N bond distances of 2.053 to 2.076 Å, which are typical for octahedral nickel(II) complexes. The ligand has a trans III configuration of the sec-NH centres, leading to chair six-membered rings and gauche five-membered rings. The hydroxyethyl group on N3 is axial. There is no evidence for hydrogen-bonding interactions involving the hydroxyethyl group in the crystal lattice.

Original languageEnglish
Pages (from-to)510-512
Number of pages3
JournalTransition Metal Chemistry
Issue number5
Publication statusPublished - 1 Jan 1997


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