Crystal structure of [bis(2-aminoethyl-kappa N)(2-{[4-(trifluoromethyl)benzylidene]amino}ethyl)amine-kappa N]dichloridocopper(II)

被引:0
作者
Bussey, Katherine A. [1 ]
Cavalier, Annie R. [1 ]
Mraz, Margaret E. [1 ]
Holderread, Ashley S. [1 ]
Oshin, Kayode D. [1 ]
Oliver, Allen G. [2 ]
Zeller, Matthias [3 ]
机构
[1] St Marys Coll, Dept Chem & Phys, Notre Dame, IN 46556 USA
[2] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA
[3] Youngstown State Univ, Dept Chem, Youngstown, OH 44555 USA
基金
美国国家科学基金会;
关键词
crystal structure; four-coordinate copper(II) complex; trifluoromethyl group analogue; ligand disorder;
D O I
10.1107/S2056989015024147
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The Cu-II atom in the title compound, [CuCl2(C14H21F3N4)], adopts a coordination geometry that is between distorted square-based pyramidal and very Jahn-Teller-elongated octahedral. It is coordinated by three N atoms from the bis(2-aminoethyl)(2-{[4-(trifluoromethyl)benzylidene]amino}ethyl)amine and two chloride ligands. The two crystallographically unique copper complexes present in the asymmetric unit exhibit noticeable differences in the coordination bond lengths. Considering the Cu-II atoms as having square-pyramidal geometry, the basal Cu-Cl bond lengths are typical [2.2701 (12) and 2.2777 (12) angstrom], while the apical distances are considerably elongated [2.8505 (12) and 2.9415 (12) angstrom]. For each molecule, a Cu II atom from inversion-related molecules are in nearby proximity to the remaining axial Cu-II sites, but the Cu center dot center dot center dot Cl distances are very long [3.4056 (12) and 3.1645 (12) angstrom], attributable to van der Waals contacts. Nonetheless, these contacts appear to have some structure-directing properties, leading to association into dimers. These dimers associate via stacking of the aromatic rings to form extended zigzag chains.
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页码:83 / +
页数:13
相关论文
共 21 条
[1]   Fluorine in medicinal chemistry [J].
Böhm, HJ ;
Banner, D ;
Bendels, S ;
Kansy, M ;
Kuhn, B ;
Müller, K ;
Obst-Sander, U ;
Stahl, M .
CHEMBIOCHEM, 2004, 5 (05) :637-643
[2]  
Bruker, 2013, APEX2 SAINT SADABS
[3]  
Dolbier W. R., 2009, GUIDE FLUORINE NMR O, P137
[4]   OLEX2: a complete structure solution, refinement and analysis program [J].
Dolomanov, Oleg V. ;
Bourhis, Luc J. ;
Gildea, Richard J. ;
Howard, Judith A. K. ;
Puschmann, Horst .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2009, 42 :339-341
[5]   Structure of Bis(trifluoromethyl)cuprate and Its Role in Trifluoromethylation Reactions [J].
Dubinina, Galyna G. ;
Ogikubo, Junichi ;
Vicic, David A. .
ORGANOMETALLICS, 2008, 27 (23) :6233-6235
[6]   Synthesis, characterisation and biological activity of three copper(II) complexes with a modified nitrogenous base: 5-formyluracil thiosemicarbazone [J].
Ferrari, MB ;
Fava, GG ;
Leporati, E ;
Pelosi, G ;
Rossi, R ;
Tarasconi, P ;
Albertini, R ;
Bonati, A ;
Lunghi, P ;
Pinelli, S .
JOURNAL OF INORGANIC BIOCHEMISTRY, 1998, 70 (02) :145-154
[7]   The Cambridge Structural Database in Retrospect and Prospect [J].
Groom, Colin R. ;
Allen, Frank H. .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2014, 53 (03) :662-671
[8]   Jahn-Teller distortions in transition metal compounds, and their importance in functional molecular and inorganic materials [J].
Halcrow, Malcolm A. .
CHEMICAL SOCIETY REVIEWS, 2013, 42 (04) :1784-1795
[9]   Crystal Structures and Polymorphism of Nickel and Copper Coordination Polymers with Pyridine Ligands [J].
Krysiak, Yasar ;
Fink, Lothar ;
Bernert, Thomas ;
Glinnemann, Juergen ;
Kapuscinski, Martin ;
Zhao, Haishuang ;
Alig, Edith ;
Schmidt, Martin U. .
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2014, 640 (15) :3190-3196
[10]   The stereochemistry of the copper(II) ion in the solid-state - some recent perspectives linking the Jahn-Teller effect, vibronic coupling, structure correlation analysis, structural pathways and comparative X-ray crystallography [J].
Murphy, B ;
Hathaway, B .
COORDINATION CHEMISTRY REVIEWS, 2003, 243 (1-2) :237-262