Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids

Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus

Abstract

The crystal structures of five new transition-metal complexes synthesized using thia­zole-2-carb­oxy­lic acid (2-Htza), imidazole-2-carb­oxy­lic acid (2-H2ima) or 1,3-oxazole-4-carb­oxy­lic acid (4-Hoxa), namely di­aqua­bis­(thia­zole-2-carboxyl­ato-κ2N,O)cobalt(II), [Co(C4H2NO2S)2(H2O)2], 1, di­aqua­bis­(thia­zole-2-car­box­yl­ato-κ2N,O)nickel(II), [Ni(C4H2NO2S)2(H2O)2], 2, di­aqua­bis­(thia­zole-2-car­boxyl­ato-κ2N,O)cadmium(II), [Cd(C4H2NO2S)2(H2O)2], 3, di­aqua­bis­(1H-imidazole-2-carboxyl­ato-κ2N3,O)cobalt(II), [Co(C4H2N2O2)2(H2O)2], 4, and di­aqua­bis­(1,3-oxazole-4-carboxyl­ato-κ2N,O4)cobalt(II), [Co(C4H2NO3)2(H2O)2], 5, are reported. The influence of the nature of the heteroatom and the position of the carboxyl group in relation to the heteroatom on the self-assembly process are discussed based upon Hirshfeld surface analysis and used to explain the observed differences in the single-crystal structures and the supra­molecular frameworks and topologies of complexes 1–5.

Citation

Meundaeng, N., Prior, T. J., & Rujiwatra, A. (2019). Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids. Acta Crystallographica Section C: Structural Chemistry, 75(9), 1319-1326. https://doi.org/10.1107/S2053229619011525

• Journal Article Type: Article
• Acceptance Date: Aug 16, 2019
• Online Publication Date: Aug 28, 2019
• Publication Date: Sep 1, 2019
• Deposit Date: Sep 2, 2019
• Publicly Available Date: Sep 10, 2019
• Journal: Acta Crystallographica Section C: Structural Chemistry
• Print ISSN: 2053-2296
• Electronic ISSN: 2053-2296
• Publisher: International Union of Crystallography
• Peer Reviewed: Peer Reviewed
• Volume: 75
• Issue: 9
• Pages: 1319-1326
• DOI: https://doi.org/10.1107/S2053229619011525
• Keywords: Transition metal; Crystal structure; Azole­carb­oxy­lic acid; Hirshfeld analysis; Supra­molecular inter­action
• Public URL: https://hull-repository.worktribe.com/output/2538608
• Additional Information: Publication: Acta Crystallographica Section C: Structural Chemistry; Content type: research papers; Article metrics: Available; Peer reviewed: Yes; Review process: Single blind; Received: 15 July 2019; Accepted: 16 August 2019; Published online: 28 August 2019; Supplementary materials: This article has supporting information; Copyright: © 2019 International Union of Crystallography