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Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: fitting a three pin plug into a two pin socket

Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: fitting a three pin plug into a two pin socket
Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: fitting a three pin plug into a two pin socket
The structures of four new compositionally related compounds are described; [Cu(en)(2)(H2O)(2)][ox] (1), [Cu(en)(3)][ox] (2), [Co(en)(3)](2)[ox](3)(H2O)(3.61) (3), and [Co(en(3))](2)[ox](3)(H2O)(7) (4) [en = 1,2-ethylenediamine, ox oxalate]. These materials all inhabit the broader structural landscape for compounds with a generic M-p(ox)(q)(en)(r)(H2O)(s) composition. Here the competing nature of the ligands; ethylenediamine, oxalate and water, results in complex solution chemistry. In addition the very different structure directing effects of each type of ligand yield a range of crystal architectures. In the present cases ethylenediamine displaces the oxalate dianion, which is non-coordinated in each of these compounds. Compound 3 has disordered water of crystallisation, and is a non-stiochoimetric hydrate, while compound 4 shows a correlated disorder in both ligand conformation and water site occupancies. The H-bond motifs linking pseudo 3-fold symmetric M(en)(3)(n+) cations to pseudo 2-fold symmetric ox(2-) anions shows frequent occurrence of particular motifs; notably the R-2(2)(8) and R-2(2)(9) graphs and a tendency to form bifurcated hydrogen bonds. The oxalate geometric parameters of twist and C-C bond length in our compounds are correlated with data from related structures in the CSD.
1466-8033
116-123
Keene, Tony D.
fb859c26-6a1d-4c43-a15f-f329bc8d34d7
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Price, Daniel J.
479ee5e3-2626-4abe-bffa-679d77ba5192
Keene, Tony D.
fb859c26-6a1d-4c43-a15f-f329bc8d34d7
Hursthouse, Michael B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Price, Daniel J.
479ee5e3-2626-4abe-bffa-679d77ba5192

Keene, Tony D., Hursthouse, Michael B. and Price, Daniel J. (2012) Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: fitting a three pin plug into a two pin socket. CrystEngComm, 14 (1), 116-123. (doi:10.1039/c1ce05837a).

Record type: Article

Abstract

The structures of four new compositionally related compounds are described; [Cu(en)(2)(H2O)(2)][ox] (1), [Cu(en)(3)][ox] (2), [Co(en)(3)](2)[ox](3)(H2O)(3.61) (3), and [Co(en(3))](2)[ox](3)(H2O)(7) (4) [en = 1,2-ethylenediamine, ox oxalate]. These materials all inhabit the broader structural landscape for compounds with a generic M-p(ox)(q)(en)(r)(H2O)(s) composition. Here the competing nature of the ligands; ethylenediamine, oxalate and water, results in complex solution chemistry. In addition the very different structure directing effects of each type of ligand yield a range of crystal architectures. In the present cases ethylenediamine displaces the oxalate dianion, which is non-coordinated in each of these compounds. Compound 3 has disordered water of crystallisation, and is a non-stiochoimetric hydrate, while compound 4 shows a correlated disorder in both ligand conformation and water site occupancies. The H-bond motifs linking pseudo 3-fold symmetric M(en)(3)(n+) cations to pseudo 2-fold symmetric ox(2-) anions shows frequent occurrence of particular motifs; notably the R-2(2)(8) and R-2(2)(9) graphs and a tendency to form bifurcated hydrogen bonds. The oxalate geometric parameters of twist and C-C bond length in our compounds are correlated with data from related structures in the CSD.

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e-pub ahead of print date: 3 October 2011
Published date: 2012
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow

Identifiers

Local EPrints ID: 347318
URI: http://eprints.soton.ac.uk/id/eprint/347318
ISSN: 1466-8033
PURE UUID: 0a0f38fa-4044-4ec2-b46c-060caddae981
ORCID for Tony D. Keene: ORCID iD orcid.org/0000-0003-2297-4327

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Date deposited: 21 Jan 2013 11:03
Last modified: 14 Mar 2024 12:46

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Author: Tony D. Keene ORCID iD
Author: Daniel J. Price

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