Crystal structure of (tris(2-aminoethyl)amine-N,N',N'')- (nicotinate-N)copper(II) tetrafluoroborate hydrate, [Cu(C6H18N4)(C6H4NO2)][BF4] · H2O

Abstract

Source of materialAm ethanol solution (25 ml) of tris(2-aminoethyl)amine (tren, 0.073 g, 0.5 mmol) was added to as tirred methanol solution (30 ml) containing Cu(C 5 NH 4 COO) 2 × 2H 2 O(0.173 g, 0.5mmol) with the formation of ablue solution. After half an hour, NaBF 4 (0.055 g, 0.5m mol) in methanol solution (20 ml) was added dropwise. The mixture was refluxed for 2hand then filtered. The filtrate was left for slow evaporation at room temperature. Blue block-shaped crystals were formed after two weeks (0.302 g, yield 70 %).The Flack parameter of 0.04(1) confirms the absolute structure. Elemental analysis -found: C, 33.36 %; H, 5.53 %; N, 15.88 %. calculated forC 12 H 24 BCuF 4 N 10 O 6 :C ,3 3.00 %;H, 5.54 %; N, 16.04 %. DiscussionTransition metal complexes of tris(2-aminoethyl)amine have been extensively investigated due to their rich structural chemistry and potential applications in biological systemsa nd optical materials. Reactions of tris(2-aminoethyl)amine with copper(II) salts give out half-open, butterfly-shaped, nest-shaped complexes [1][2][3][4]. The asymmetric unit of the title crystal structure consists of two [Cu(tren)(nic)] + cations, two BF 4 -anions and two water molecules. The cations are crystallographically independent but chemically very similar with slight difference in bond distances and bond angles, identified as Cu1 and Cu2.T he Cu atomsa re both coordinated by four Na tomso ft ren and the Na tom of .The equatorial bond angles are ÐN3-Cu1-N4=1 10.9(1)°, ÐN4-Cu1-N2= 112.02(9)°and ÐN2-Cu1-N3 =1 34.1(1)°which are also very close to those of Cu2 (ÐN9-Cu2-N7 =1 08.6(1)°), ÐN8-Cu2-N9 =1 13.2(1)°, ÐN7-Cu2-N8 =1 34.8(1)°). The bond angles of the tertiary amine with the three primary amine N atomsare in the range of 83.4(1) -85.0(1)°for Cu1 and 83.2(1) -84.3(1)°for Cu2. The striking feature of the complex is that nicotinate coordinates to Cu(II) via the pyridine Natom,not by the carboxylate Oatom as found in reported complexes [6].

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“…The structure is similar to other trigonal bipyramidal copper complexes of tris(2-aminoethyl)amine with a pyridine ligand. [60][61][62][63][64] 4.1.5. [Cd(tren)(AMP)](ClO 4 ) 2 (10).…”