Crystal structure of bis(3,5-diisopropylsalicylato)(neocuproine)cadmium(II), Cd(C13H17O3)2(C14H12N2)
Zeitschrift für Kristallographie - New Crystal Structures
C 40 H 46 CdN 2 O 6 ,triclinic, P 1 (no. 2), a =9.870(3) Å, b =13.971(4) Å, c =14.491(4) Å, a =105.98(2)°, b =99.23(2)°, g =100.26(2)°, V =1843.4 Å 3 , Z =2, R gt (F) =0.043, wR ref (F 2 ) =0.149, T =293 K. Source of material The diisopropylsalicylatocadmium(II)[Cd(dips) 2 ]wasprepared by reaction of Cd(NO 3 ) 2 ·4H 2 OwithNa(dips) afterneutralizing Hdips by aNaOH solution. Anamount of 0.554 gofCd(dips) 2 (1 mmol) and 0.210 gofneocuproine (1 mmol) were dissolved in 20 mLof dimethylacetamide.
... methylacetamide. The solution wasstirred at60°C during 2hours to give the title complex. Single crystals were obtained by slow evaporation of this solution. Discussion Recently, we have synthesized and structurally characterized the ternary bis(3,5-diisopropylsalicylato)(2,9-dimethyl-1,10-phenanthroline)zinc complex in aneffort to examine their anti-convulsivant properties  . Following this work, we report in this paper the crystalstructure of bis(3,5-diisopropylsalicylato)(neocuproine)cadmium(II)f or comparing the environment of cadmium with thatofzinc likely to be modified by the increase in vander Waals radii. Cd(II)isbondedtoone bidentate 2,9-dimethyl-1,10-phenanthroline (neocuproine) ligand ( d (Cd-N41) =2.284(4) Å, d (Cd-N50) = 2.328(3) Å)and two bidentate 3,5-diisopropylsalicylato anionic (dips) ligands. The Cd-Obond lengths range from 2.296(3) Å to 2.455(3)Åwhich corresponds to those found in other Cd complexes [2,3]. The relatively long Cd-O2(2.456(4) Å)and Cd-O21 (2.412(4) Å)distances in conjunction with the normal Cd-O1(2.256(3) Å)and Cd-O22 (2.297(4) Å)distances indicate thatthe coordination mode of the carboxylato group of each dips ligand is indeed ahybrid between unidentate and bidentate with the latter contribution being predominant. The Cd(II)cation shows adistorted bicapped rectangularp yramid. The apicalatoms are O21 and O22 with anO-Cd-Oa ngle of 54.6(1)°. The four basaldonor atoms O1, O2, N41 and N50 show avery slight tetrahedrald istortion with amaximum distance from their best plane of 0.049(2) Åfor O1and Cd(II)being 1.023(2)Åoutside of this plane. Internalhydrogen bonding interaction are O3-H3···O2 with d (O3···O2) =2.617(6) Å, Ð O3-H3···O2=139°; O7-H7···O1 with d (O7···O1) =2.522(9) Å, Ð O7-H7···O1=147°; O23-H23··· O22 with d (O23···O22) =2.542(7) Å, Ð O23-H23···O22 =145°a nd O27-H27···O21 with d (O27···O21 =2 .541(9) Å, Ð O27-H27···O21 =148°. Moreover, the crystalpacking of this complex is governed by numerous C-H···Ointeractions.The mosti mportant one is C30-H30B···O7 i with d (C30···O7 i )=3 .15(2) Å, Ð C30-H30B···O7 i =162°(i: -1-x ,-y ,-1-z ).