Bis[N-(2-pyridylmethyl)glycinato]zinc(II) dihydrate

Abstract

Key indicatorsSingle-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.025 wR factor = 0.071 Data-to-parameter ratio = 13.3For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e. # 2003 International Union of Crystallography Printed in Great Britain ± all rights reservedIn the mononuclear title complex, [Zn(PMG) 2 ]Á2H 2 O or [Zn(C 8 H 9 N 2 O 2 ) 2 ]Á2H 2 O, the Zn II center is surrounded by two N-(2-pyridylmethyl)glycinate (PMG) ligands, which impose a distorted octahedral environment on the metal. Two deprotonated molecules of the new tridentate N,N H ,O-donor ligand HPMG are facially coordinated to the Zn II center in such a way that the atoms of the same kind are mutually trans to each other, generating a centrosymmetric structure.

Bis[2-(2-pyridylmethylamino)ethanesulfonato-κ3N,N′,O]cobalt(II)

“…The coordination environment at Co is distorted octahedral (Table 1). This structure is similar to those of other complexes with N,N 0 ,O-tridentate donor ligands (Wang & Vittal, 2003;Correia et al, 2003). The geometric parameters are also in good agreement with those reported for other taurine-containing complexes (Jiang et al, 2006;Li et al, 2005).…”

Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-κ3 N,N′,O]zinc(II) dihydrate

“…The six-coordinated Zn II atom has a distorted octahedral geometry, being coordinated by pyridine N, imine N and sulfonate O atoms from two deprotonated Pabaligands in a tridentate facial arrangement. This structure is similar to those reported for complexes with N,N′,O-tridentate donor ligands (Li et al, 2006;Correia et al, 2003).…”

“…For related literature, see: Casella & Gullotti (1981, 1986; Jiang et al (2006); Li et al (2006Li et al ( , 2007; Wang et al (1994); Zhang et al (2004Zhang et al ( , 2007Zhang et al ( , 2008; Correia et al (2003); Zheng et al (2001); Zhou et al (2004).…”

Synthesis, structure and molecular modeling of a ZnII-Phenolate complex as a model for ZnII-Containing tyrosinate metalloenzymes

“…19,20,29,30 In this paper we described the synthesis, crystal structure and 1 H NMR properties of such a complex. The good agreement between the theoretical and experimental data obtained for [Zn(LBr)] indicates that the use of DFT is appropriate in the planning and synthesis of new structural and functional models for Zn II -containing phenolate enzymes.…”

“…11 One histidine nitrogen and the tyrosine OH group, at distances of 2.3 and 2.6 Å to the zinc, respectively, are apically connected, whereas the other three ligands are coplanar and 2.1 Å apart from the zinc center. Following our interest in the search for new compounds as structural and functional models for the active site of zinccontaining metalloenzymes, [19][20][21] we report here the synthesis, X-ray structure and molecular modeling using Density Functional Theory (DFT) for the [Zn(L-Br)] complex, where L-Br 2-is the deprotonated form of the N,N'-bis-(5-bromo-2-hydroxy-benzyl)-N,N'-bis-(pyridin-2-ylmethyl)-ethane-1,2-diamine ligand. Importantly, theoretical calculations have been recently introduced in our group as a strategy for planning the synthesis of new ligands and model complexes.…”