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Crystal structure of ortho-rhom-bic {bis-[(pyridin-2-yl)meth-yl](3,5,5,5-tetra-chloro-pent-yl)amine-κ(3) N,N',N''}chlorido-copper(II) perchlorate.

Bussey KA, Cavalier AR, Connell JR, Mraz ME, Oshin KD, Pintauer T, Gray DL, Parkin S - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The perchlorate counter-ion is disordered over three sets of sites with refined occupancies 0.0634 (17), 0.221 (16) and 0.145 (7).In addition, the hetero-scorpionate arm of the bis-[(pyridin-2-yl)meth-yl](3,5,5,5-tetra-chloro-pent-yl)amine ligand is disordered over two sets of sites with refined occupancies 0.839 (2) and 0.161 (2).In the crystal, weak Cu⋯Cl inter-actions between symmetry-related mol-ecules create a dimerization with a chloride occupying the apical position of the square-pyramidal geometry typical of many copper(II) chloride hetero-scorpionate complexes.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry & Physics, Saint Mary's College, Notre Dame, IN 46556, USA.

ABSTRACT
In the title compound, [CuCl(C17H19Cl4N3)]ClO4, the Cu(II) ion adopts a distorted square-planar geometry defined by one chloride ligand and the three nitro-gen atoms from the bis-[(pyridin-2-yl)meth-yl](3,5,5,5-tetra-chloro-pent-yl)amine ligand. The perchlorate counter-ion is disordered over three sets of sites with refined occupancies 0.0634 (17), 0.221 (16) and 0.145 (7). In addition, the hetero-scorpionate arm of the bis-[(pyridin-2-yl)meth-yl](3,5,5,5-tetra-chloro-pent-yl)amine ligand is disordered over two sets of sites with refined occupancies 0.839 (2) and 0.161 (2). In the crystal, weak Cu⋯Cl inter-actions between symmetry-related mol-ecules create a dimerization with a chloride occupying the apical position of the square-pyramidal geometry typical of many copper(II) chloride hetero-scorpionate complexes.

No MeSH data available.


Dimer inter­actions between two [Cu(C17H19N3Cl4)(Cl)] (1) mol­ecules, shown with 50% probability ellipsoids for the primary orientations of the disordered sites. H atoms are removed for clarity. The symmetry operation to generate the additional cation is 1 − x, 1 − y, 1 − z.
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fig2: Dimer inter­actions between two [Cu(C17H19N3Cl4)(Cl)] (1) mol­ecules, shown with 50% probability ellipsoids for the primary orientations of the disordered sites. H atoms are removed for clarity. The symmetry operation to generate the additional cation is 1 − x, 1 − y, 1 − z.

Mentions: Weak [2.8535 (9) Å] Cu⋯Cl inter­actions between adjacent mol­ecules creates a dimerization with two Cl atoms bridging the CuII atoms (Fig. 2 ▸). The inter-copper distance between neighbouring cations is 3.4040 (7) Å. When considered, the weak Cu⋯Cl inter­action becomes the apical position of a distorted square-pyramidal geometry for the CuII atoms. Further strengthening the dimer are weak electrostatic C—H⋯ Cl inter­actions between C11—H11A⋯Cl1i and C12—H12B ⋯Cl1i (Cl1i is generated by the symmetry operation − x, −y + 2, −z; Table 1 ▸). The three-dimensional packing structure (Fig. 3 ▸) is comprised from many weak C—H ⋯ O inter­actions that occur between carbon donors on the scorpionate arm or the bis­(pyridin-2-ylmeth­yl)amine and the oxygen atoms on varying orientations of the perchlorate counter-ion. Depending on the orientation of the chlorinated scorpionate arm, there are additional weak C—H⋯ Cl inter­actions.


Crystal structure of ortho-rhom-bic {bis-[(pyridin-2-yl)meth-yl](3,5,5,5-tetra-chloro-pent-yl)amine-κ(3) N,N',N''}chlorido-copper(II) perchlorate.

Bussey KA, Cavalier AR, Connell JR, Mraz ME, Oshin KD, Pintauer T, Gray DL, Parkin S - Acta Crystallogr E Crystallogr Commun (2015)

Dimer inter­actions between two [Cu(C17H19N3Cl4)(Cl)] (1) mol­ecules, shown with 50% probability ellipsoids for the primary orientations of the disordered sites. H atoms are removed for clarity. The symmetry operation to generate the additional cation is 1 − x, 1 − y, 1 − z.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4518935&req=5

fig2: Dimer inter­actions between two [Cu(C17H19N3Cl4)(Cl)] (1) mol­ecules, shown with 50% probability ellipsoids for the primary orientations of the disordered sites. H atoms are removed for clarity. The symmetry operation to generate the additional cation is 1 − x, 1 − y, 1 − z.
Mentions: Weak [2.8535 (9) Å] Cu⋯Cl inter­actions between adjacent mol­ecules creates a dimerization with two Cl atoms bridging the CuII atoms (Fig. 2 ▸). The inter-copper distance between neighbouring cations is 3.4040 (7) Å. When considered, the weak Cu⋯Cl inter­action becomes the apical position of a distorted square-pyramidal geometry for the CuII atoms. Further strengthening the dimer are weak electrostatic C—H⋯ Cl inter­actions between C11—H11A⋯Cl1i and C12—H12B ⋯Cl1i (Cl1i is generated by the symmetry operation − x, −y + 2, −z; Table 1 ▸). The three-dimensional packing structure (Fig. 3 ▸) is comprised from many weak C—H ⋯ O inter­actions that occur between carbon donors on the scorpionate arm or the bis­(pyridin-2-ylmeth­yl)amine and the oxygen atoms on varying orientations of the perchlorate counter-ion. Depending on the orientation of the chlorinated scorpionate arm, there are additional weak C—H⋯ Cl inter­actions.

Bottom Line: The perchlorate counter-ion is disordered over three sets of sites with refined occupancies 0.0634 (17), 0.221 (16) and 0.145 (7).In addition, the hetero-scorpionate arm of the bis-[(pyridin-2-yl)meth-yl](3,5,5,5-tetra-chloro-pent-yl)amine ligand is disordered over two sets of sites with refined occupancies 0.839 (2) and 0.161 (2).In the crystal, weak Cu⋯Cl inter-actions between symmetry-related mol-ecules create a dimerization with a chloride occupying the apical position of the square-pyramidal geometry typical of many copper(II) chloride hetero-scorpionate complexes.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry & Physics, Saint Mary's College, Notre Dame, IN 46556, USA.

ABSTRACT
In the title compound, [CuCl(C17H19Cl4N3)]ClO4, the Cu(II) ion adopts a distorted square-planar geometry defined by one chloride ligand and the three nitro-gen atoms from the bis-[(pyridin-2-yl)meth-yl](3,5,5,5-tetra-chloro-pent-yl)amine ligand. The perchlorate counter-ion is disordered over three sets of sites with refined occupancies 0.0634 (17), 0.221 (16) and 0.145 (7). In addition, the hetero-scorpionate arm of the bis-[(pyridin-2-yl)meth-yl](3,5,5,5-tetra-chloro-pent-yl)amine ligand is disordered over two sets of sites with refined occupancies 0.839 (2) and 0.161 (2). In the crystal, weak Cu⋯Cl inter-actions between symmetry-related mol-ecules create a dimerization with a chloride occupying the apical position of the square-pyramidal geometry typical of many copper(II) chloride hetero-scorpionate complexes.

No MeSH data available.