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Bis(2,2'-bi-1H-imidazole)-copper(II) bis-(1,1,3,3-tetra-cyano-2-eth-oxy-propenide).

ABSTRACT: In the title compound, [Cu(C(6)H(6)N(4))(2)](C(9)H(5)N(4)O)(2), the Cu(2+) ion (site symmetry ) is coordinated by two N,N'-bidentate 2,2'-biimidazole (H(2)biim) ligands, generating a square-planar CuN(4) geometry. The dihedral angle between the aromatic rings in the ligand is 0.70?(9)°. In the polynitrile 1,1,3,3-tetra-cyano-2-eth-oxy-propenide (tcnoet) anion, the C-N, C-C and C-O bond lengths indicate extensive electronic delocalization. An alternative description for the metal-ion geometry is an extremely distorted CuN(6) octa-hedron, with two N-bonded tcnoet anions completing the coordination. In the crystal, the components are linked by N-H?N and C-H?N inter-actions.

SUBMITTER: Gaamoune B

PROVIDER: S-EPMC3007362 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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Bis(2,2'-bi-1H-imidazole)-copper(II) bis-(1,1,3,3-tetra-cyano-2-eth-oxy-propenide).

Gaamoune Bachir B Setifi Zouaoui Z Beghidja Adel A El-Ghozzi Malika M Setifi Fatima F Avignant Daniel D

Acta crystallographica. Section E, Structure reports online 20100731 Pt 8

In the title compound, [Cu(C(6)H(6)N(4))(2)](C(9)H(5)N(4)O)(2), the Cu(2+) ion (site symmetry ) is coordinated by two N,N'-bidentate 2,2'-biimidazole (H(2)biim) ligands, generating a square-planar CuN(4) geometry. The dihedral angle between the aromatic rings in the ligand is 0.70 (9)°. In the polynitrile 1,1,3,3-tetra-cyano-2-eth-oxy-propenide (tcnoet) anion, the C-N, C-C and C-O bond lengths indicate extensive electronic delocalization. An alternative description for the metal-ion geometry is ...[more]

PMID: 21588113

Similar Datasets

Crystal structure of tris-(2,2'-bi-pyridine)-cobalt(II) bis-(1,1,3,3-tetra-cyano-2-eth-oxy-propenide).

Project description:In the title compound, [Co(C10H8N2)3](C9H5N4O)2, the tris-(2,2'-bi-pyridine)-cobalt(II) dication lies across a twofold rotation axes in the space group C2/c. The N atoms of the three bi-pyridine ligands form a distorted octa-hedron around the cobalt ion. All the N atoms of the polynitrile 1,1,3,3-tetra-cyano-2-eth-oxy-propenide anions participate in C-H?N hydrogen bonds ensuring crystal cohesion and forming a three-dimensional structure. The structure is further stabilized by C-H??(cation) and anion??(cation) inter-actions.

| S-EPMC6362655 | biostudies-literature

Crystal structure of [tris-(4,4'-bi-pyridine)]-diium bis-(1,1,3,3-tetra-cyano-2-eth-oxy-propenide) trihydrate.

Project description:The title hydrated salt, C30H26N62+·2C9H5N4O-·3H2O, was obtained as an unexpected product from the hydro-thermal reaction between potassium 1,1,3,3-tetra-cyano-2-eth-oxy-propenide, 4,4'-bi-pyridine and iron(II) sulfate hepta-hydrate. The cation lies across a twofold rotation axis in the space group I2/a with the other components all in general positions. In the cation, the H atom linking the pyridine units is disordered over two adjacent sites having occupancies of 0.66 (4) and 0.36 (4), i.e. as N-H⋯N and N⋯H-N. The water mol-ecules of crystallization are each disordered over two sets of atomic sites, having occupancies of 0.522 (6) and 0.478 (6) for one, and 0.34 (3) and 0.16 (3) for the other, and it was not possible to reliably locate the H atoms associated with these partial-occupancy sites. In the crystal, four independent C-H⋯N hydrogen bonds link the ionic components into a three-dimensional network.

| S-EPMC5120698 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of tris-(2,2'-bi-pyridine)-nickel(II) bis-(1,1,3,3-tetra-cyano-2-eth-oxy-propenide) dihydrate.

Project description:The title compound, [Ni(C10H8N2)3](C9H5N4O)2·2H2O, crystallizes as a racemic mixture in the monoclinic space group C2/c. In the crystal, the 1,1,3,3-tetracyano-2-ethoxypropenide anions and the water molecules are linked by O-H⋯N hydrogen bonds, forming chains running along the [010] direction. The bpy ligands of the cation are linked to the chain via C-H⋯π(cation) inter-actions involving the CH3 group. The inter-molecular inter-actions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots.

| S-EPMC6658966 | biostudies-literature

Crystal structure of <i>meso</i>-di-μ-chlorido-bis-[bis-(2,2'-bi-pyridine)-cadmium] bis-(1,1,3,3-tetra-cyano-2-ethoxy-propenide) 0.81-hydrate.

Project description:The hydrated title salt, [Cd2Cl2(C10H8N2)4](C9H5N4O)2·0.81H2O, was obtained from the hydro-thermal reaction between 2,2'-bi-pyridine, cadmium(II) chloride and potassium 1,1,3,3-tetra-cyano-2-eth-oxy-propenide. The binuclear cation lies across a centre of inversion in the space group P21/c, with the other components in general positions. The cation has approximate, but non-crystallographic 2/m symmetry and each of the CdII atoms is a stereogenic centre, one having the Δ configuration and the other the Λ configuration. In the anion, one of the C(CN)2 units is disordered over two sets of atomic sites having occupancies 0.75 (2) and 0.25 (2). The cations are linked by two independent C-H⋯Cl hydrogen bonds to form a sheet of R22(14) and R42(24) rings.

| S-EPMC5209770 | biostudies-literature

Tris(1,10-phenanthroline-?(2) N,N')iron(II) bis-(1,1,3,3-tetra-cyano-2-eth-oxy-propenide) hemihydrate.

Project description:In the title hydrated mol-ecular salt, [Fe(C12H8N2)3](C9H5N4O)2·0.5H2O, the water mol-ecule site is half-occupied. The Fe-N bond lengths within the octa-hedral tris-chelate [Fe(phen)3](2+) ion (phen is 1,10-phenantroline) are indicative of a low-spin d(6) electronic configuration for the metal ion. The C-N, C-C and C-O bond lengths in the polynitrile anions indicate extensive electronic delocalization. In the crystal, the components are linked through O-H?N hydrogen bonds, forming [100] chains, as well as through Coulombic inter-actions.

| S-EPMC3588335 | biostudies-other

Bis(2,2'-bi-1H-imidazole-κN,N)bis-(dimethyl sulfoxide-κO)copper(II) bis-(tetra-fluoridoborate).

Project description:In the title copper(II) salt, [Cu(C(6)H(6)N(4))(2)(C(2)H(6)OS)(2)](BF(4))(2), the Jahn-Teller distorted octa-hedral coordination sphere of copper is formed from four 2,2'-bi-1H-imidazole N atoms and two dimethyl sulfoxide O atoms. The Cu atom lies on a center of inversion. N-H⋯O and N-H⋯F hydrogen bonds give rise to a one-dimensional structure. The BF(4) (-) anion is disordered over two sites in a 0.671 (10):0.329 (10) ratio.

| S-EPMC3008059 | biostudies-literature

Bis(2,2'-bi-1H-imidazole-?N,N)bis-(4-methyl-benzoato-?O)copper(II).

Project description:In title compound, [Cu(C(8)H(7)O(2))(2)(C(6)H(6)N(4))(2)], the Cu(II) atom (site symmetry ) is coordinated by two N,N'-bidentate 2,2'-biimidazole ligands and two weakly bonded 4-methyl-benzoate anions, resulting in a strongly elongated trans-CuO(2)N(4) octa-hedral geometry. In the crystal, adjacent mol-ecules are linked via pairs of N-H?O hydrogen bonds into chains propagating in [010].

| S-EPMC2972066 | biostudies-literature

1-(2-Cyano-eth-yl)-1H-imidazole-4,5-dicarbonitrile.

Project description:In the title tricyano-nitrile compound, C(8)H(5)N(5), the N-substituted cyano-ethyl group is offset to the imidazole ring [dihedral angle = 75.41 (15)°].

| S-EPMC3435800 | biostudies-literature

Bis(2,2'-bi-1H-imidazole-?N,N)(thio-cyanato-?N)copper(II) chloride.

Project description:In the title salt, [Cu(NCS)(C(6)H(6)N(4))(2)]Cl, the Cu(II) atom adopts a five-coordinated square-pyramidal geometry consisting of an N atom from a thio-cyanate anion and four N atoms from two chealting biimidazole ligands. The thio-cyanate ligand occupies the axial position and is, like the Cu(II) centre, located on a mirror plane. The cation and anion are linked into a linear chain by N-H?S and N-H?Cl hydrogen bonds.

| S-EPMC2971028 | biostudies-literature

Tetra-kis[tris-(2,2'-bi-1H-benzimidazole)nickel(II)] bis-(phosphate) sulfate.

Project description:The title compound, [Ni(C(14)H(10)N(4))(3)](4)(PO(4))(2)(SO(4)), consists of [Ni(C(14)H(10)N(4))(3)](2+) complex cations (.3. symmetry) and disordered anions ( symmetry) with occupancy factors of two-thirds for PO(4) (3-) and one-third for SO(4) (2-). The Ni(2+) centre is chelated by three bidentate 2,2'-bi-1H-benzimidazole mol-ecules in a distorted octa-hedral coordination. N-H⋯O hydrogen bonds consolidate the building units into a framework structure.

| S-EPMC2959627 | biostudies-literature

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