Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ3N,N′,N″}chloridocopper(II) perchlorate

Katherine A. Bussey; Annie R. Cavalier; Jennifer R. Connell; Margaret E. Mraz; Kayode D. Oshin; Tomislav Pintauer; Danielle L. Gray; Sean Parkin

doi:10.1107/S2056989015011792

Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ³N,N′,N″}chloridocopper(II) perchlorate

Katherine A. Bussey, Annie R. Cavalier, Jennifer R. Connell, Margaret E. Mraz, Kayode D. Oshin, Tomislav Pintauer, Danielle L. Gray, Sean Parkin

School of Chemical Sciences

Research output: Contribution to journal › Article › peer-review

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 nitrogen atoms from the bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)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)methyl](3,5,5,5-tetrachloropentyl) 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 interactions between symmetry-related molecules create a dimerization with a chloride occupying the apical position of the square-pyramidal geometry typical of many copper(II) chloride hetero-scorpionate complexes.

Original language	English (US)
Pages (from-to)	847-851
Number of pages	5
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	71
Issue number	7
DOIs	https://doi.org/10.1107/S2056989015011792
State	Published - Jul 2015

Keywords

Atom Transfer Radical Addition (ATRA) reactions
Crystal structure
Disorder in cation and counter-ion
Four-coordinate copper(II)
Hetero-scorpionate complex

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

Online availability

10.1107/S2056989015011792

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Cite this

Bussey, K. A., Cavalier, A. R., Connell, J. R., Mraz, M. E., Oshin, K. D., Pintauer, T., Gray, D. L., & Parkin, S. (2015). Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ³N,N′,N″}chloridocopper(II) perchlorate. Acta Crystallographica Section E: Crystallographic Communications, 71(7), 847-851. https://doi.org/10.1107/S2056989015011792

Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ³N,N′,N″}chloridocopper(II) perchlorate. / Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R. et al.
In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 71, No. 7, 07.2015, p. 847-851.

Research output: Contribution to journal › Article › peer-review

Bussey, KA, Cavalier, AR, Connell, JR, Mraz, ME, Oshin, KD, Pintauer, T, Gray, DL & Parkin, S 2015, 'Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ³N,N′,N″}chloridocopper(II) perchlorate', Acta Crystallographica Section E: Crystallographic Communications, vol. 71, no. 7, pp. 847-851. https://doi.org/10.1107/S2056989015011792

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title = "Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ3N,N′,N″}chloridocopper(II) perchlorate",

abstract = "In the title compound, [CuCl(C17H19Cl4N3)]ClO4, the CuII ion adopts a distorted square-planar geometry defined by one chloride ligand and the three nitrogen atoms from the bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)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)methyl](3,5,5,5-tetrachloropentyl) 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 interactions between symmetry-related molecules create a dimerization with a chloride occupying the apical position of the square-pyramidal geometry typical of many copper(II) chloride hetero-scorpionate complexes.",

keywords = "Atom Transfer Radical Addition (ATRA) reactions, Crystal structure, Disorder in cation and counter-ion, Four-coordinate copper(II), Hetero-scorpionate complex",

author = "Bussey, {Katherine A.} and Cavalier, {Annie R.} and Connell, {Jennifer R.} and Mraz, {Margaret E.} and Oshin, {Kayode D.} and Tomislav Pintauer and Gray, {Danielle L.} and Sean Parkin",

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T1 - Crystal structure of orthorhombic {bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)amine-κ3N,N′,N″}chloridocopper(II) perchlorate

AU - Bussey, Katherine A.

AU - Cavalier, Annie R.

AU - Connell, Jennifer R.

AU - Mraz, Margaret E.

AU - Oshin, Kayode D.

AU - Pintauer, Tomislav

AU - Gray, Danielle L.

AU - Parkin, Sean

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N2 - In the title compound, [CuCl(C17H19Cl4N3)]ClO4, the CuII ion adopts a distorted square-planar geometry defined by one chloride ligand and the three nitrogen atoms from the bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)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)methyl](3,5,5,5-tetrachloropentyl) 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 interactions between symmetry-related molecules create a dimerization with a chloride occupying the apical position of the square-pyramidal geometry typical of many copper(II) chloride hetero-scorpionate complexes.

AB - In the title compound, [CuCl(C17H19Cl4N3)]ClO4, the CuII ion adopts a distorted square-planar geometry defined by one chloride ligand and the three nitrogen atoms from the bis[(pyridin-2-yl)methyl](3,5,5,5-tetrachloropentyl)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)methyl](3,5,5,5-tetrachloropentyl) 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 interactions between symmetry-related molecules create a dimerization with a chloride occupying the apical position of the square-pyramidal geometry typical of many copper(II) chloride hetero-scorpionate complexes.

KW - Atom Transfer Radical Addition (ATRA) reactions

KW - Crystal structure

KW - Disorder in cation and counter-ion

KW - Four-coordinate copper(II)

KW - Hetero-scorpionate complex

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