Dilovan S Cati1, Helen Stoeckli-Evans2. 1. Debiopharm International S.A., Chemin Messidor 5-7, CP 5911, CH-1002 Lausanne, Switzerland. 2. Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland.
Abstract
The title tridentate ligand, C14H10N4O, N-(quinolin-8-yl)pyrazine-2-carboxamide (HL1), crystallizes with three independent mol-ecules (A, B and C) in the asymmetric unit. All three mol-ecules are relatively planar (r.m.s. deviations are 0.068, 0.055 and 0.06 Å, respectively), with the NH H atom forming three-centered (bifurcated) intra-molecular N-H⋯N hydrogen bonds in each mol-ecule. There is also an intra-molecular C-H⋯O contact present in each mol-ecule, involving the benzene ring of the quinoline unit and the amide carboxamide O atom. In the crystal, the three mol-ecules stack in columns with the various mol-ecules being linked by offset π-π inter-actions [inter-centroid distances vary from 3.367 (5) to 3.589 (5) Å], forming layers parallel to the ab plane. The title complex, [Cu4(C42H44N8O16)]·2CH3OH, {hexa-μ-acetato-1:2κ2 O:O';2:3κ8 O:O';3:4κ2 O:O'-di-methanol-1κO,2κO-bis-[N-(quinolin-8-yl)pyrazine-2-carboxamide]-1κ3 N,N',N'';4κ3 N,N',N''-tetra-copper(II) methanol disolvate} (I), was obtained by the reaction of HL1 with Cu(CH3CO2)2. It consists of a tetra-nuclear complex with a central tetra-kis-(μ-acetato)-dicopper paddle-wheel moiety linked on either side via bridging acetato ions to a mononuclear copper(II)-(L1) complex; it crystallizes as a methanol disolvate. The complex possesses inversion symmetry, being located about a center of symmetry situated at the mid-point of the Cu⋯Cu bond of the paddle-wheel moiety. In the crystal, the complex mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains along the [01] direction, which are linked by offset π-π inter-actions [inter-centroid distance = 3.7367 (11) Å] and C-H⋯O hydrogen bonds, leading to the formation of a supra-molecular framework.
The title tridentate ligand, C14H10N4O, n class="Chemical">N-(quinolin-8-yl)pyrazine-2-carboxamide (HL1), crystallizes with three independent mol-ecules (A, B and C) in the asymmetric unit. All three mol-ecules are relatively planar (r.m.s. deviations are 0.068, 0.055 and 0.06 Å, respectively), with the NH H atom forming three-centered (bifurcated) intra-molecular N-H⋯N hydrogen bonds in each mol-ecule. There is also an intra-molecular C-H⋯O contact present in each mol-ecule, involving the benzene ring of the quinoline unit and the amide carboxamide O atom. In the crystal, the three mol-ecules stack in columns with the various mol-ecules being linked by offset π-π inter-actions [inter-centroid distances vary from 3.367 (5) to 3.589 (5) Å], forming layers parallel to the ab plane. The title complex, [Cu4(C42H44N8O16)]·2CH3OH, {hexa-μ-acetato-1:2κ2 O:O';2:3κ8 O:O';3:4κ2 O:O'-di-methanol-1κO,2κO-bis-[N-(quinolin-8-yl)pyrazine-2-carboxamide]-1κ3 N,N',N'';4κ3 N,N',N''-tetra-copper(II)methanol disolvate} (I), was obtained by the reaction of HL1 with Cu(CH3CO2)2. It consists of a tetra-nuclear complex with a central tetra-kis-(μ-acetato)-dicopper paddle-wheel moiety linked on either side via bridging acetato ions to a mononuclear copper(II)-(L1) complex; it crystallizes as a methanol disolvate. The complex possesses inversion symmetry, being located about a center of symmetry situated at the mid-point of the Cu⋯Cu bond of the paddle-wheel moiety. In the crystal, the complex mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains along the [01] direction, which are linked by offset π-π inter-actions [inter-centroid distance = 3.7367 (11) Å] and C-H⋯O hydrogen bonds, leading to the formation of a supra-molecular framework.
Authors: Julia Klingele; John F Boas; John R Pilbrow; Boujemaa Moubaraki; Keith S Murray; Kevin J Berry; Keith A Hunter; Geoffrey B Jameson; Peter D W Boyd; Sally Brooker Journal: Dalton Trans Date: 2006-12-14 Impact factor: 4.390