Syntheses and crystal structures of three salts of 1-(4-nitro­phenyl)­piperazine

Shankara Prasad, H. J. and Devaraju and Yathirajan, H. S. and Akkurt, Mehmet and Foro, Sabine and Balerao, Rishik and Butcher, Ray J. (2023) Syntheses and crystal structures of three salts of 1-(4-nitro­phenyl)­piperazine. Acta Crystallographica Section E, 79 (5). pp. 423-427. ISSN 2056-9890

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The crystal structures and Hirshfeld surface analyses of three salts of 1-(4-nitro­phenyl)­piperazine with 2-chloro­benzoic acid, 2-bromo­benzoic acid and 2-iodo­benzoic acid are reported. The chloro­benzoate salt, C10H14N3O2+·C7H4ClO2−, contains whole-ion-disordered cations and anions, which were modeled with two equivalent conformations with occupancies of 0.745 (10)/0.255 (10) and 0.563 (13)/0.437 (13), respectively. The bromo­benzoate and iodo­benzoate derivatives are isomorphous and crystallize as hemihydrates, viz. C10H14N3O2+·C7H4BrO2−·0.5H2O and C10H14N3O2+·C7H4IO2−·0.5H2O, respectively [the water mol­ecule is disordered over two locations with occupancies of 0.276 (3)/0.223 (3) for the iodo­benzoate derivative]. In the extended structures, all three salts feature an R44(12) loop of two anions and two cations linked by N—H⋯O hydrogen bonds.

Item Type: Article
Uncontrolled Keywords: crystal structure, piperazinium cation, carboxylate anion, supramolecular features, Hirshfeld analysis
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 29 Apr 2023 04:04
Last Modified: 29 Apr 2023 04:04

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