Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ4N]copper(II) bromide
In the asymmetric unit of the title compound, [CuBr(C18H18N4)]Br, there are three crystallographically independent cations. One of the cations exhibits positional disorder of the pyridin-2-ylmethyl groups over two sets of sites with refined occupancies of 0.672 (8) and 0.328 (8). The outer-sphere br...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-06-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989016007568 |
| _version_ | 1798017092099768320 |
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| author | Emma C. Bridgman Megan M. Doherty Kaleigh A. Ellis Elizabeth A. Homer Taylor N. Lashbrook Margaret E. Mraz Gina C. Pernesky Emma M. Vreeke Kayode D. Oshin Allen G. Oliver |
| author_facet | Emma C. Bridgman Megan M. Doherty Kaleigh A. Ellis Elizabeth A. Homer Taylor N. Lashbrook Margaret E. Mraz Gina C. Pernesky Emma M. Vreeke Kayode D. Oshin Allen G. Oliver |
| author_sort | Emma C. Bridgman |
| collection | DOAJ |
| description | In the asymmetric unit of the title compound, [CuBr(C18H18N4)]Br, there are three crystallographically independent cations. One of the cations exhibits positional disorder of the pyridin-2-ylmethyl groups over two sets of sites with refined occupancies of 0.672 (8) and 0.328 (8). The outer-sphere bromine counter-ion is severely disordered over multiple sites. In each cation, the CuII ion is coordinated by the four N atoms of the tris(pyridin-2-ylmethyl)amine ligand and one bromine and adopts a slightly distorted trigonal–bipyramidal geometry. |
| first_indexed | 2024-04-11T16:01:11Z |
| format | Article |
| id | doaj.art-362b5fb5879448d2ba6834d8547b8888 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T16:01:11Z |
| publishDate | 2016-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-362b5fb5879448d2ba6834d8547b88882022-12-22T04:15:01ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902016-06-0172680180410.1107/S2056989016007568lh5812Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ4N]copper(II) bromideEmma C. Bridgman0Megan M. Doherty1Kaleigh A. Ellis2Elizabeth A. Homer3Taylor N. Lashbrook4Margaret E. Mraz5Gina C. Pernesky6Emma M. Vreeke7Kayode D. Oshin8Allen G. Oliver9Department of Chemistry and Physics, Saint Mary's College, Notre Dame, IN 46556, USADepartment of Chemistry and Physics, Saint Mary's College, Notre Dame, IN 46556, USADepartment of Chemistry and Physics, Saint Mary's College, Notre Dame, IN 46556, USADepartment of Chemistry and Physics, Saint Mary's College, Notre Dame, IN 46556, USADepartment of Chemistry and Physics, Saint Mary's College, Notre Dame, IN 46556, USADepartment of Chemistry and Physics, Saint Mary's College, Notre Dame, IN 46556, USADepartment of Chemistry and Physics, Saint Mary's College, Notre Dame, IN 46556, USADepartment of Chemistry and Physics, Saint Mary's College, Notre Dame, IN 46556, USADepartment of Chemistry and Physics, Saint Mary's College, Notre Dame, IN 46556, USADepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USAIn the asymmetric unit of the title compound, [CuBr(C18H18N4)]Br, there are three crystallographically independent cations. One of the cations exhibits positional disorder of the pyridin-2-ylmethyl groups over two sets of sites with refined occupancies of 0.672 (8) and 0.328 (8). The outer-sphere bromine counter-ion is severely disordered over multiple sites. In each cation, the CuII ion is coordinated by the four N atoms of the tris(pyridin-2-ylmethyl)amine ligand and one bromine and adopts a slightly distorted trigonal–bipyramidal geometry.http://scripts.iucr.org/cgi-bin/paper?S2056989016007568crystal structurefive-coordinate copper(II) complexAtom Transfer Radical Addition (ATRA)ligand disorder |
| spellingShingle | Emma C. Bridgman Megan M. Doherty Kaleigh A. Ellis Elizabeth A. Homer Taylor N. Lashbrook Margaret E. Mraz Gina C. Pernesky Emma M. Vreeke Kayode D. Oshin Allen G. Oliver Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ4N]copper(II) bromide Acta Crystallographica Section E: Crystallographic Communications crystal structure five-coordinate copper(II) complex Atom Transfer Radical Addition (ATRA) ligand disorder |
| title | Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ4N]copper(II) bromide |
| title_full | Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ4N]copper(II) bromide |
| title_fullStr | Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ4N]copper(II) bromide |
| title_full_unstemmed | Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ4N]copper(II) bromide |
| title_short | Crystal structure of [tris(pyridin-2-ylmethyl)amine-κ4N]copper(II) bromide |
| title_sort | crystal structure of tris pyridin 2 ylmethyl amine κ4n copper ii bromide |
| topic | crystal structure five-coordinate copper(II) complex Atom Transfer Radical Addition (ATRA) ligand disorder |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989016007568 |
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