Syntheses, crystal structures and Hirshfeld surface analysis of 4-(4-nitro­phen­yl)piperazin-1-ium tri­fluoro­acetate and 4-(4-nitro­phen­yl)piperazin-1-ium tri­chloro­acetate

Shankara Prasad, H. J. and Devaraju and Murthy, S. M. and Kaspiaruk, Hanna and Yathirajan, H. S. and Foro, Sabine and Chęcińska, Lilianna (2023) Syntheses, crystal structures and Hirshfeld surface analysis of 4-(4-nitro­phen­yl)piperazin-1-ium tri­fluoro­acetate and 4-(4-nitro­phen­yl)piperazin-1-ium tri­chloro­acetate. Acta Crystallographica Section E, 79 (1). pp. 1-7. ISSN 2056-9890

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Official URL: https://doi.org/10.1107/S2056989022011501

Abstract

The synthesis and crystal structures of the mol­ecular salts of 4-(4-nitro­phen­yl)piperazine with tri­fluoro­acetate, namely, 4-(4-nitro­phen­yl)piperazin-1-ium tri­fluoro­acetate, C10H14N3O2+·C2F3O2− (I), and with tri­chloro­acetate, namely, 4-(4-nitro­phen­yl)piperazin-1-ium tri­chloro­acetate, C10H14N3O2+·C2Cl3O2−, (II), are reported and compared. A partial positional disorder of the anions was found. In both structures, the piperazine rings adopt a chair conformation, whereas the positions of the nitro­phenyl group on the piperazine ring differ from bis­ectional in (I) to equatorial in (II). In both structures, the supra­molecular assemblies are mono-periodic on the basis of the chain-of-rings motifs supported by aromatic π–π inter­actions. Hirshfeld surface analysis was used to explore the inter­molecular close contacts in both crystals. The most dominant contacts of the Hirshfeld surface of the cation–anion pairs of the asymmetric units are O⋯H/H⋯O, and those with a contribution of halogen atoms: F⋯H/H⋯F in (I) and Cl⋯H/H⋯Cl in (II), respectively.

Item Type: Article
Uncontrolled Keywords: crystal structure, piperazine, hydrogen bonding, chain of rings, supramolecular assembly
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 06 Jan 2023 10:02
Last Modified: 06 Jan 2023 10:02
URI: http://eprints.uni-mysore.ac.in/id/eprint/17424

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