title: Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa-aza-cyclo-tetra-decane-κ(4) N (3),N (6),N (10),N (13))bis-(isonicotinato-κO)nickel(II) determined from synchrotron data.
abstract: The title compound, [Ni(C6H4NO2)2(C16H38N6)], was prepared through self-assembly of a nickel(II) aza-macrocyclic complex with isonicotinic acid. The Ni(II) atom is located on an inversion center and exhibits a distorted octa-hedral N4O2 coordination environment, with the four secondary N atoms of the aza-macrocyclic ligand in the equatorial plane [average Ni-Neq = 2.064 (11) Å] and two O atoms of monodentate isonicotinate anions in axial positions [Ni-Oax = 2.137 (1) Å]. Intra-molecular N-H⋯O hydrogen bonds between one of the secondary amine N atoms of the aza-macrocyclic ligand and the non-coordinating carboxyl-ate O atom of the anion stabilize the mol-ecular structure. Inter-molecular N-H⋯N hydrogen bonds, as well as π-π inter-actions between neighbouring pyridine rings, give rise to the formations of supra-molecular ribbons extending parallel to [001].
authors.affiliation: Beamline Department, Pohang Accelerator Laboratory 80, Jigokro-127-beongil, Nam-Gu Pohang, Gyeongbuk 37673, Republic of Korea.
authors.forename: Jong Won
authors.initials: JW
authors.lastname: Shin
authors.affiliation: Beamline Department, Pohang Accelerator Laboratory 80, Jigokro-127-beongil, Nam-Gu Pohang, Gyeongbuk 37673, Republic of Korea.
authors.forename: Dae-Woong
authors.initials: DW
authors.lastname: Kim
authors.affiliation: Beamline Department, Pohang Accelerator Laboratory 80, Jigokro-127-beongil, Nam-Gu Pohang, Gyeongbuk 37673, Republic of Korea.
authors.forename: Dohyun
authors.initials: D
authors.lastname: Moon
keywords: aza­macrocyclic ligand; crystal structure; isonicotinic acid; synchrotron data; π–π inter­actions