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{3,14-Dimethyl-2,6,13,17-tetra-aza-tricyclo-[16.4.0.0]docosane-κN,N',N'',N''')bis-(nitrato-κO)copper(II).

ABSTRACT: The Cu(II) atom in the title compound, [Cu(NO(3))(2)(C(20)H(40)N(4))], is N,N',N'',N'''-chelated by the macrocyclic ligand: the four N atoms form a square, above and below which are located the O atoms of the nitrate ions. The metal atom exists in a tetra-gonally distorted octa-hedron, on a special position of [Formula: see text] site symmetry. One of the amino groups is hydrogen bonded to an O atom of the nitrate ion. The other amino group is hydrogen bonded to O atom of an adjacent mol-ecule, generating a supra-molecular dimeric hydrogen-bonded dinuclear aggregate.

SUBMITTER: Choi JH

PROVIDER: S-EPMC3274913 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,14-Dimethyl-2,6,13,17-tetra-aza-tricyclo-[16.4.0.0]docosa-ne-(naphthalen-1-yl)methanol (1/2).

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Project description:The crystal structure of the novel hydrated CuII salt, [Cu(L)(H2O)2]Cl2·4H2O (L = 3,14-diethyl-2,6,13,17-tetra-aza-tri-cyclo-[16.4.0.07,12]docosane, C22H44N4) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(L)(H2O)2]2+ cation (completed by crystallographic inversion symmetry), one chloride anion and two lattice water mol-ecules. The copper(II) atom exists in a tetra-gonally distorted octa-hedral environment with the four N atoms of the macrocyclic ligand in equatorial and two O atoms from water mol-ecules in axial positions. The latter exhibit a long axial Cu-O bond length of 2.7866 (16) Å due to the Jahn-Teller distortion. The macrocyclic ring adopts a stable trans-III conformation with typical Cu-N bond lengths of 2.0240 (11) and 2.0441 (3) Å. The complex is stabilized by hydrogen bonds formed between the O atoms of coordinated water mol-ecules and the NH groups as donors, and chloride anions as acceptors. The chloride anions are further connected to the lattice water solvent molecules through O-H⋯Cl hydrogen bonds, giving rise to a three-dimensional network structure.

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Crystal structure of [2,13-bis-(acetamido)-5,16-dimethyl-2,6,13,17-tetra-aza-tri-cyclo-[16.4.0.07,12]docosane-κ4N]silver(II) dinitrate from synchrotron X-ray data.

Project description:The asymmetric unit of the title compound, [Ag(C24H46N6O2)](NO3)2 [C24H46N6O2 is (5,16-dimethyl-2,6,13,17-tetra-aza-tri-cyclo-[16.4.0.07,12]docosane-2,13-di-yl)diacetamide, L], consists of one independent half of the [Ag(C24H46N6O2)]2+ cation and one nitrate anion. The Ag atom, lying on an inversion centre, has a square-planar geometry and the complex adopts a stable trans-III conformation. Inter-estingly, the two O atoms of the pendant acetamide groups are not coordinated to the AgII ion. The longer distance of 2.227 (2) Å for Ag-N(tertiary) compared to 2.134 (2) Å for Ag-N(secondary) may be due to the effects of the attached acetamide group on the tertiary N atom. Two nitrate anions are very weakly bound to the AgII ion in the axial sites and are further connected to the ligand of the cation by N-H⋯O hydrogen bonds. The crystal packing is stabilized by hydrogen-bonding inter-actions among the N-H donor groups of the macrocycle and its actetamide substituents, and the O atoms of the nitrate anions and of an acetamide group as the acceptor atoms.

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Project description:In the title compound, [Cu(C(7)H(5)O(3))(NO(3))(C(14)H(12)N(2))], the Cu(II) ion is five-coordinated in a slightly distorted square-pyramidal geometry by one O atom of a nitrate anion, two O atoms of a 4-hydroxy-benzoate anion, and two N atoms from a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand. In the crystal structure, inversion-related mol-ecules are linked into dimers by O-H⋯O hydrogen bonds. The packing is further stabilized by π-π inter-actions involving the benzene rings of the dmphen and hydroxy-benzoate units, with centroid-centroid distances of 3.4930 (14) or 3.5727 (14) Å.

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