Author/Authors :
Cati, Dilovan S. Debiopharm International S.A., Switzerland , Stoeckli-Evans, Helen Institute of Physics - University of Neuchâtel, Switzerland
Abstract :
The title tridentate ligand, C14H10N4O, N-(quinolin-8-yl)pyrazine-2-carboxamide (HL1), crystallizes with three independent molecules (A, B and C) in the
asymmetric unit. All three molecules are relatively planar (r.m.s. deviations are
0.068, 0.055 and 0.06 A˚ , respectively), with the NH H atom forming threecentered (bifurcated) intramolecular N—HN hydrogen bonds in each
molecule. There is also an intramolecular C—HO contact present in each
molecule, involving the benzene ring of the quinoline unit and the amide
carboxamide O atom. In the crystal, the three molecules stack in columns with
the various molecules being linked by offset - interactions [intercentroid
distances vary from 3.367 (5) to 3.589 (5) A˚ ], forming layers parallel to the ab
plane. The title complex, [Cu4(C42H44N8O16)]2CH3OH, {hexa--acetato1:22
O:O0
;2:38
O:O0
;3:42
O:O0
-dimethanol-1O,2O-bis[N-(quinolin-8-yl)pyrazine-2-carboxamide]-13
N,N0
,N00;43
N,N0
,N00-tetracopper(II) methanol disolvate} (I), was obtained by the reaction of HL1 with Cu(CH3CO2)2. It consists
of a tetranuclear complex with a central tetrakis(-acetato)dicopper paddlewheel 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 CuCu bond of the paddle-wheel moiety. In the crystal,
the complex molecules are linked by O—HO hydrogen bonds, forming chains
along the [011] direction, which are linked by offset – interactions
[intercentroid distance = 3.7367 (11) A˚ ] and C—HO hydrogen bonds, leading
to the formation of a supramolecular framework.
Keywords :
crystal structure , pyrazine , quinoline , carboxamide , copper(II) , tetranuclear complex , hydrogen bonding , offset π–π interactions , Hirshfeld surface analysis , supramolecular framework