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.
The crystal structure of the adduct piperazine-1,4-diium 3,5-dinitro-2-oxidobenzoate–piperazine–water (2/1/2) shows the existence of a 3,5-dinitrosalicylate dianion (DNSA2−) and a protonated piperazine-1,4-diium cation (PIP2+) along with a piperazine molecule. The formula of the title adduct in the asymmetric unit is 2C4H12N2
2+·2C7H2N2O7
2−·C4H10N2·2H2O with Z = 1. The piperazine ring in the piperazine-1,4-diium cation and in the neutral piperazine molecule adopt chair conformations. All O atoms in the DNSA2− moiety and the water molecule act as hydrogen-bonding acceptors for various intermolecular O—H...O, N—H...O and C—H...O interactions, which stabilize the crystal structure. Various supramolecular architectures formed by the different intermolecular interactions are discussed. The relative contribution of various intermolecular contacts is analysed with the aid of two-dimensional (full and decomposed) fingerprint plots, indicating that H...O/O...H (50.2%) and H...H (36.2%) contacts are the major contributors to the stabilization of the crystal structure.
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