Crystal structure studies of 4-ethyl-piperazin-1-ium 3,5-di-nitro-benzoate, 4-methyl-piperazin-1-ium 3,5-di-nitro-benzoate and 4-methyl-piperazin-1-ium 4-iodo-benzoate

Sriramapura D Archana; Haruvegowda Kiran Kumar; Hemmige S Yathirajan; Sabine Foro; Mohammed S M Abdelbaky; Santiago Garcia-Granda

doi:10.1107/S2056989021010689

Crystal structure studies of 4-ethyl-piperazin-1-ium 3,5-di-nitro-benzoate, 4-methyl-piperazin-1-ium 3,5-di-nitro-benzoate and 4-methyl-piperazin-1-ium 4-iodo-benzoate

Acta Crystallogr E Crystallogr Commun. 2021 Oct 21;77(Pt 11):1135-1139. doi: 10.1107/S2056989021010689. eCollection 2021 Nov 1.

Authors

Sriramapura D Archana¹, Haruvegowda Kiran Kumar¹, Hemmige S Yathirajan¹, Sabine Foro², Mohammed S M Abdelbaky³, Santiago Garcia-Granda³

Affiliations

¹ Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore-570 006, India.
² Institute of Materials Science, Darmstadt University of Technology, Alarich-Weiss-Strasse 2, D-64287 Darmstadt, Germany.
³ Department of Physical and Analytical Chemistry, Faculty of Chemistry, Oviedo University-CINN, Oviedo 33006, Spain.

Abstract

As part of our ongoing investigation on the chemical and biological properties of piperazinium salts, we synthesized three novel compounds: 1-ethyl-piperazinium 3,5-di-nitro-benzoate (I), 1-methyl-piperazinium 3,5-di-nitro-benzoate (II) and 1-methyl-piperazinium 4-iodo-benzoate (III). The crystal structures of these compounds are built up of organic layers formed by the strong connection between the mol-ecules by hydrogen bonds of type N-H⋯O. These layers are linked through N-H⋯O hydrogen bonds and C-H⋯O inter-actions or C-I⋯N halogen bonding, leading to the formation of a three-dimensional network.

Keywords: benzoate anion; biological activity; crystal structure; piperazinium salts.

Grants and funding

This work was funded by Spanish Ministerio de Ciencia e Innovaci\’on grant PID2020-113558RB-C41 to Santiago Garcia-Granda; Gobierno del Principado de Asturias grant GRUPIN-ID2018-170 to Santiago Garcia-Granda; University of Mysore; Darmstadt University of Technology.