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Synthesis and Supramolecular Structure of a (5-(3-(1H-tetrazol-5-yl)phenyl)-1H-tetrazole) Cobalt Complex.

Kostakis GE, Anson CE, Powell AK - Bioinorg Chem Appl (2010)

Bottom Line: The reaction of CoCl(2).6H(2)O with m-BDTH(2) (1,3-benzeneditetrazol-5-yl) leads to [Co(C(8)H(6)N(8))(2)(H(2)O)(2)(CH(3)CN)(2)]Cl(2) (1).Both tetrazolic groups remain protonated existing in a 1H tautomeric form.A trifurcated chlorine atom and stacking interactions assemble compound 1 into a three-dimensional network.

View Article: PubMed Central - PubMed

Affiliation: Institute of Nanotechnology, Karlsruhe Institute of Technology, Postfach 3640, 76021 Karlsruhe, Germany.

ABSTRACT
The reaction of CoCl(2).6H(2)O with m-BDTH(2) (1,3-benzeneditetrazol-5-yl) leads to [Co(C(8)H(6)N(8))(2)(H(2)O)(2)(CH(3)CN)(2)]Cl(2) (1). Both tetrazolic groups remain protonated existing in a 1H tautomeric form. A trifurcated chlorine atom and stacking interactions assemble compound 1 into a three-dimensional network.

No MeSH data available.


(a) A projection of the hydrogen bonded layer formed in 1 perpendicular to a axis; a view of 1 showing the π – π interaction. (b) The hydrogen-bonded layers are drawn in different colours to emphasize the stacking interactions between the aryl rings that lead to a 3D supramolecular architecture. Chlorine atoms, the organic hydrogen atoms, and acetonitrile carbon atoms have been omitted for clarity.
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fig3: (a) A projection of the hydrogen bonded layer formed in 1 perpendicular to a axis; a view of 1 showing the π – π interaction. (b) The hydrogen-bonded layers are drawn in different colours to emphasize the stacking interactions between the aryl rings that lead to a 3D supramolecular architecture. Chlorine atoms, the organic hydrogen atoms, and acetonitrile carbon atoms have been omitted for clarity.

Mentions: In compound 1 there are two different kinds of interactions that lead to the formation of a 3D supramolecular architecture, namely, hydrogen bonding and stacking interactions. The chlorine atom is part of a trifurcated hydrogen bonding arrangement (Table 3) between three different cations. In this way a layer parallel to the a axis is formed (Figure 2). The first H-bond involves hydrogen atom H(5) of the noncoordinated tetrazolic group, the second involves hydrogen atom H(12) of the coordinated water molecule and the third involves hydrogen atom H(1) of the coordinated tetrazole group. In addition, a fourth hydrogen bond is located between hydrogen atom H(11) of water molecule and nitrogen atom N(7) of the noncoordinated tetrazolic group, forming an infinite 1D-chain perpendicular to the a axis. These 1D chains interact with each other through weak π − π stacking interactions involving all the aryl moieties (Table 3). A stronger interaction occurs between the central ring and the noncoordinated tetrazolic group, while there is also an interaction with an adjacent coordinated tetrazolic group belonging to a third 1D chain (Figure 3).


Synthesis and Supramolecular Structure of a (5-(3-(1H-tetrazol-5-yl)phenyl)-1H-tetrazole) Cobalt Complex.

Kostakis GE, Anson CE, Powell AK - Bioinorg Chem Appl (2010)

(a) A projection of the hydrogen bonded layer formed in 1 perpendicular to a axis; a view of 1 showing the π – π interaction. (b) The hydrogen-bonded layers are drawn in different colours to emphasize the stacking interactions between the aryl rings that lead to a 3D supramolecular architecture. Chlorine atoms, the organic hydrogen atoms, and acetonitrile carbon atoms have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

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fig3: (a) A projection of the hydrogen bonded layer formed in 1 perpendicular to a axis; a view of 1 showing the π – π interaction. (b) The hydrogen-bonded layers are drawn in different colours to emphasize the stacking interactions between the aryl rings that lead to a 3D supramolecular architecture. Chlorine atoms, the organic hydrogen atoms, and acetonitrile carbon atoms have been omitted for clarity.
Mentions: In compound 1 there are two different kinds of interactions that lead to the formation of a 3D supramolecular architecture, namely, hydrogen bonding and stacking interactions. The chlorine atom is part of a trifurcated hydrogen bonding arrangement (Table 3) between three different cations. In this way a layer parallel to the a axis is formed (Figure 2). The first H-bond involves hydrogen atom H(5) of the noncoordinated tetrazolic group, the second involves hydrogen atom H(12) of the coordinated water molecule and the third involves hydrogen atom H(1) of the coordinated tetrazole group. In addition, a fourth hydrogen bond is located between hydrogen atom H(11) of water molecule and nitrogen atom N(7) of the noncoordinated tetrazolic group, forming an infinite 1D-chain perpendicular to the a axis. These 1D chains interact with each other through weak π − π stacking interactions involving all the aryl moieties (Table 3). A stronger interaction occurs between the central ring and the noncoordinated tetrazolic group, while there is also an interaction with an adjacent coordinated tetrazolic group belonging to a third 1D chain (Figure 3).

Bottom Line: The reaction of CoCl(2).6H(2)O with m-BDTH(2) (1,3-benzeneditetrazol-5-yl) leads to [Co(C(8)H(6)N(8))(2)(H(2)O)(2)(CH(3)CN)(2)]Cl(2) (1).Both tetrazolic groups remain protonated existing in a 1H tautomeric form.A trifurcated chlorine atom and stacking interactions assemble compound 1 into a three-dimensional network.

View Article: PubMed Central - PubMed

Affiliation: Institute of Nanotechnology, Karlsruhe Institute of Technology, Postfach 3640, 76021 Karlsruhe, Germany.

ABSTRACT
The reaction of CoCl(2).6H(2)O with m-BDTH(2) (1,3-benzeneditetrazol-5-yl) leads to [Co(C(8)H(6)N(8))(2)(H(2)O)(2)(CH(3)CN)(2)]Cl(2) (1). Both tetrazolic groups remain protonated existing in a 1H tautomeric form. A trifurcated chlorine atom and stacking interactions assemble compound 1 into a three-dimensional network.

No MeSH data available.