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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.


The mol­ecular structure of (1), shown with 50% probability ellipsoids for non-H atoms and circles of arbitrary size for H atoms. Only the primary orientations of the disordered sites are shown.
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fig1: The mol­ecular structure of (1), shown with 50% probability ellipsoids for non-H atoms and circles of arbitrary size for H atoms. Only the primary orientations of the disordered sites are shown.

Mentions: The title complex, (1) (Fig. 1 ▸), adopts a distorted square-planar geometry, as shown in the bond angles around the CuII ion. The CuII ion is coordinated by the binding of the two pyridine and amine nitro­gen atoms and a chlorido ligand. A τ-4 analysis of the distortions about the CuII ion yields a value of 0.15, slightly deviant from an ideal value of zero for perfect square-planar geometry [τ-4 = [360 – (α + β)]/141; Yang et al., 2007 ▸] where α and β are the two greatest valence angles of the coordination center]. The CuII ion sits 0.0922 (4) Å out of the mean basal plane formed by Cl1 and the three coordinating N atoms, giving rise to the distortion from true square-planar geometry. The Cu—Cl1 [2.2519 (8) Å], Cu—N(amine) [2.027 (2) Å], and Cu—N(py) [1.982 (3) and 1.987 (3) Å] bond lengths are in the anti­cipated range for copper(II) complexes.


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)

The mol­ecular structure of (1), shown with 50% probability ellipsoids for non-H atoms and circles of arbitrary size for H atoms. Only the primary orientations of the disordered sites are shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig1: The mol­ecular structure of (1), shown with 50% probability ellipsoids for non-H atoms and circles of arbitrary size for H atoms. Only the primary orientations of the disordered sites are shown.
Mentions: The title complex, (1) (Fig. 1 ▸), adopts a distorted square-planar geometry, as shown in the bond angles around the CuII ion. The CuII ion is coordinated by the binding of the two pyridine and amine nitro­gen atoms and a chlorido ligand. A τ-4 analysis of the distortions about the CuII ion yields a value of 0.15, slightly deviant from an ideal value of zero for perfect square-planar geometry [τ-4 = [360 – (α + β)]/141; Yang et al., 2007 ▸] where α and β are the two greatest valence angles of the coordination center]. The CuII ion sits 0.0922 (4) Å out of the mean basal plane formed by Cl1 and the three coordinating N atoms, giving rise to the distortion from true square-planar geometry. The Cu—Cl1 [2.2519 (8) Å], Cu—N(amine) [2.027 (2) Å], and Cu—N(py) [1.982 (3) and 1.987 (3) Å] bond lengths are in the anti­cipated range for copper(II) complexes.

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.