Crystal structure of 4-(2-methoxyphenyl)piperazin-1-ium 3,5-dintrosalicylate
| Autor: | Veerappan Subha, Thangaraj Seethalakshmi, Thangavelu Balakrishnan, M. Judith Percino, Perumal Venkatesan |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 78, Iss 8, Pp 774-778 (2022) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989022006831 |
| Popis: | The title salt [systematic name: 4-(2-methoxyphenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate], C11H17N2O+·C7H3N2O7−, exhibits secondary nitrogen atoms (N—H) in the 2-methoxyphenylpiperazine (2MeOPP) cation, which is protonated with a phenolic hydrogen atom of 3,5-dinitrosalicylic acid (DNSA). One of the oxygen atoms of the nitro group in the 3,5-dinitrosalicylate anion is disordered over two orientations with occupancy factors of 0.65 (7) and 0.35 (7) . The 2-methoxyphenylpiperazinium cation and 3,5-dinitrosalicylate anion are linked in the asymmetric unit by a bifurcated N—H...O hydrogen bond, which formed is between the H atom in the protonated piperazinium unit of the cation and the carboxylic acid group in the anion. The piperazine ring adopts a chair conformation. The crystal structure features N—H...O and C—H...O hydrogen bonds interactions, which lead to the formation of a sandwich-like arrangement. Hirshfeld surface analysis was used to determine the relative contributions of various intermolecular interactions, indicating that that H...O/O...H (38. 3%) and H...H (31. 8%) contacts are the major contributors. |
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