Title of article :
The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand N,N′,N′′,N′′′-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(N-methylaniline)
Author/Authors :
Vallina, Ana Tesouro Institute of Chemistry - University of Neuchâtel, Switzerland , Stoeckli-Evans, Helen Institute of Physics - University of Neuchâtel, Switzerland
Abstract :
The whole molecule of the cadmium(II) complex, diiodido{N,N0 ,N00,N000- [pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(N-methylaniline)- 3 N2 ,N1 ,N6 }cadmium(II), [CdI2(C36H40N6)], (I), of the ligand N,N0 ,N00,N000- [pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(N-methylaniline) (L), is generated by a twofold rotation symmetry; the twofold axis bisects the cadmium
atom and the nitrogen atoms of the pyrazine ring. The ligand coordinates in a
mono-tridentate manner and the cadmium atom has a fivefold CdN3I2
coordination environment with a distorted shape. In the zinc(II) complex,
dichlorido{N,N0 ,N00,N000-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(Nmethylaniline)-3
N2 ,N1 ,N6 }zinc(II) dichloromethane 0.6-solvate, [ZnCl2(C36H40N6)]0.6CH2Cl2, (II), ligand L also coordinates in a monotridentate manner and the zinc atom has a fivefold ZnN3Cl2 coordination
environment with a distorted shape. It crystallized as a partial dichloromethane
solvate. In the crystal of I, the complex molecules are linked by weak C—HI
contacts, forming ribbons propagating along [100]. In the crystal of II, the
complex molecules are linked by a series of C—H interactions, forming
layers lying parallel to the (111) plane. In the crystals of both compounds there
are metal–halide(pyrazine) contacts present. The Hirshfeld analyses
confirm the importance of the C—Hhalide contacts in the crystal packing
of both compounds.
Keywords :
crystal structure , tetrakis-substituted pyrazine , cadmium(II) , zinc(II) , mononuclear complexes , C—H⋯π interactions , metal–halide⋯π(pyrazine) contacts