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Crystal structure of aqua-{μ-N-[3-(di-methyl-amino)-prop-yl]-N'-2-(oxidophen-yl)oxamidato}(1,10-phen-anthroline-5,6-dione)dicopper(II) perchlorate hemihydrate.

Zhang X, Li YT, Wu ZY - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: One Cu(II) cation is N,N',N",O-chelated by an N-[3-(di-methyl-amino)-prop-yl]-N'-(2-hy-droxy-phen-yl)oxamide trianion in a distorted square-planar geometry, whereas the other Cu(II) cation is O,O'-chelated by the oxamide moiety of the anion and N,N'-chelated by a 1,10-phenanthroline-5,6-dione mol-ecule, and a water mol-ecule further coordinates the second Cu(II) cation, completing a distorted square-pyramidal coordination geometry.In the crystal, classical O-H⋯O hydrogen bonds, weak C-H⋯O hydrogen-bonding inter-actions and π-π stacking inter-actions link the complex cations, anions and solvent water mol-ecules into a three-dimensional supra-molecular architecture.In the crystal, the di-methyl-amino-propyl unit of the oxamide anion is disordered over two positions with an occupancy ratio of 0.561 (11):0.439 (11); the solvent water mol-ecule is also disordered over two positions, the occupancy ratio being 0.207 (10):0.293 (10).

View Article: PubMed Central - HTML - PubMed

Affiliation: Key Laboratory of Marine Drugs, Ministry of Education of China, School of Medicine and Pharmacy, Ocean University of China, Qingdao 266003, People's Republic of China.

ABSTRACT
The title compound, [Cu2(C13H16N3O3)(C12H6N2O2)(H2O)]ClO4·0.5H2O, consists of a cis-oxamide-bridged binuclear Cu(II) complex cation, a perchlorate anion and half a solvent water mol-ecule. One Cu(II) cation is N,N',N",O-chelated by an N-[3-(di-methyl-amino)-prop-yl]-N'-(2-hy-droxy-phen-yl)oxamide trianion in a distorted square-planar geometry, whereas the other Cu(II) cation is O,O'-chelated by the oxamide moiety of the anion and N,N'-chelated by a 1,10-phenanthroline-5,6-dione mol-ecule, and a water mol-ecule further coordinates the second Cu(II) cation, completing a distorted square-pyramidal coordination geometry. In the crystal, classical O-H⋯O hydrogen bonds, weak C-H⋯O hydrogen-bonding inter-actions and π-π stacking inter-actions link the complex cations, anions and solvent water mol-ecules into a three-dimensional supra-molecular architecture. In the crystal, the di-methyl-amino-propyl unit of the oxamide anion is disordered over two positions with an occupancy ratio of 0.561 (11):0.439 (11); the solvent water mol-ecule is also disordered over two positions, the occupancy ratio being 0.207 (10):0.293 (10).

No MeSH data available.


The two-dimensional wave-like hydrogen-bonding network constructed by classical O—H⋯O and weak C—H⋯O inter­actions [symmetry codes: (i) 1 − x, 1 − y, −z; (ii) x,  − y, z − ; (iii) x,  − y, z + ].
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fig2: The two-dimensional wave-like hydrogen-bonding network constructed by classical O—H⋯O and weak C—H⋯O inter­actions [symmetry codes: (i) 1 − x, 1 − y, −z; (ii) x,  − y, z − ; (iii) x,  − y, z + ].

Mentions: Besides classical O—H⋯O hydrogen bonds, weak C—H⋯O hydrogen bonds and aromatic stacking inter­actions are important to the supra­molecular structure. As illustrated in Fig. 2 ▶, two symmetry-related binuclear cations link each other, forming a dimer by hydrogen bonds between the coordinating water mol­ecules and phenolic oxygen atoms (Table 2 ▶). Then the dimers are assembled by perchlorate anions, generating a wave-like layer parallel to (100). Subsequently, an offset π–π stacking inter­action occurs between the middle aromatic ring of the Phdo ligand of a binuclear unit and the benzene ring of the other unit at −x, 1 − y, −z [symmetry code (iv)], and vice versa (Fig. 3 ▶). The separations of the overlapped atoms from their opposite rings are 3.191 (4) (C2iv), 3.211 (4) (C3iv) and 3.252 (4) Å (C19iv).


Crystal structure of aqua-{μ-N-[3-(di-methyl-amino)-prop-yl]-N'-2-(oxidophen-yl)oxamidato}(1,10-phen-anthroline-5,6-dione)dicopper(II) perchlorate hemihydrate.

Zhang X, Li YT, Wu ZY - Acta Crystallogr E Crystallogr Commun (2015)

The two-dimensional wave-like hydrogen-bonding network constructed by classical O—H⋯O and weak C—H⋯O inter­actions [symmetry codes: (i) 1 − x, 1 − y, −z; (ii) x,  − y, z − ; (iii) x,  − y, z + ].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4459334&req=5

fig2: The two-dimensional wave-like hydrogen-bonding network constructed by classical O—H⋯O and weak C—H⋯O inter­actions [symmetry codes: (i) 1 − x, 1 − y, −z; (ii) x,  − y, z − ; (iii) x,  − y, z + ].
Mentions: Besides classical O—H⋯O hydrogen bonds, weak C—H⋯O hydrogen bonds and aromatic stacking inter­actions are important to the supra­molecular structure. As illustrated in Fig. 2 ▶, two symmetry-related binuclear cations link each other, forming a dimer by hydrogen bonds between the coordinating water mol­ecules and phenolic oxygen atoms (Table 2 ▶). Then the dimers are assembled by perchlorate anions, generating a wave-like layer parallel to (100). Subsequently, an offset π–π stacking inter­action occurs between the middle aromatic ring of the Phdo ligand of a binuclear unit and the benzene ring of the other unit at −x, 1 − y, −z [symmetry code (iv)], and vice versa (Fig. 3 ▶). The separations of the overlapped atoms from their opposite rings are 3.191 (4) (C2iv), 3.211 (4) (C3iv) and 3.252 (4) Å (C19iv).

Bottom Line: One Cu(II) cation is N,N',N",O-chelated by an N-[3-(di-methyl-amino)-prop-yl]-N'-(2-hy-droxy-phen-yl)oxamide trianion in a distorted square-planar geometry, whereas the other Cu(II) cation is O,O'-chelated by the oxamide moiety of the anion and N,N'-chelated by a 1,10-phenanthroline-5,6-dione mol-ecule, and a water mol-ecule further coordinates the second Cu(II) cation, completing a distorted square-pyramidal coordination geometry.In the crystal, classical O-H⋯O hydrogen bonds, weak C-H⋯O hydrogen-bonding inter-actions and π-π stacking inter-actions link the complex cations, anions and solvent water mol-ecules into a three-dimensional supra-molecular architecture.In the crystal, the di-methyl-amino-propyl unit of the oxamide anion is disordered over two positions with an occupancy ratio of 0.561 (11):0.439 (11); the solvent water mol-ecule is also disordered over two positions, the occupancy ratio being 0.207 (10):0.293 (10).

View Article: PubMed Central - HTML - PubMed

Affiliation: Key Laboratory of Marine Drugs, Ministry of Education of China, School of Medicine and Pharmacy, Ocean University of China, Qingdao 266003, People's Republic of China.

ABSTRACT
The title compound, [Cu2(C13H16N3O3)(C12H6N2O2)(H2O)]ClO4·0.5H2O, consists of a cis-oxamide-bridged binuclear Cu(II) complex cation, a perchlorate anion and half a solvent water mol-ecule. One Cu(II) cation is N,N',N",O-chelated by an N-[3-(di-methyl-amino)-prop-yl]-N'-(2-hy-droxy-phen-yl)oxamide trianion in a distorted square-planar geometry, whereas the other Cu(II) cation is O,O'-chelated by the oxamide moiety of the anion and N,N'-chelated by a 1,10-phenanthroline-5,6-dione mol-ecule, and a water mol-ecule further coordinates the second Cu(II) cation, completing a distorted square-pyramidal coordination geometry. In the crystal, classical O-H⋯O hydrogen bonds, weak C-H⋯O hydrogen-bonding inter-actions and π-π stacking inter-actions link the complex cations, anions and solvent water mol-ecules into a three-dimensional supra-molecular architecture. In the crystal, the di-methyl-amino-propyl unit of the oxamide anion is disordered over two positions with an occupancy ratio of 0.561 (11):0.439 (11); the solvent water mol-ecule is also disordered over two positions, the occupancy ratio being 0.207 (10):0.293 (10).

No MeSH data available.