Abstract
The title salt {systematic name: bis[1-(3-chlorophenyl)piperazinium 2,4,6-trinitrophenolate]–picric acid (2/1)}, 2C10H14ClN2 +·2C6H5N3O7 −·C6H6N3O7, crystallized with two independent 1-(3-chlorophenyl)piperazinium cations, two picrate anions and a picric acid molecule in the asymmetric unit. The six-membered piperazine ring in each cation adopts a slightly distorted chair conformation and contains a protonated N atom. In the picric acid molecule, the mean planes of the nitro groups in the ortho-, meta-, and para-positions are twisted from the benzene ring by 31.5 (3), 7.7 (1), and 3.8 (2)°, respectively. In the anions, the dihedral angles between the benzene ring and the ortho-, meta-, and para-nitro groups are 36.7 (1), 5.0 (6), 4.8 (2)°, and 34.4 (9), 15.3 (8), 4.5 (1)°, respectively. The nitro group in one anion is disordered and was modeled with two sites for one O atom with an occupancy ratio of 0.627 (7):0.373 (7). In the crystal, the picric acid molecule interacts with the picrate anion through a trifurcated O—H⋯O four-centre hydrogen bond involving an intramolecular O—H⋯O hydrogen bond and a weak C—H⋯O interaction. Weak intermolecular C—H⋯O interactions are responsible for the formation of cation–anion–cation trimers resulting in a chain along [010]. In addition, weak C—H⋯Cl and weak π–π interactions [centroid–centroid distances of 3.532 (3), 3.756 (4) and 3.705 (3) Å] are observed and contribute to the stability of the crystal packing.
Highlights
The title salt {systematic name: bis[1-(3-chlorophenyl)piperazinium 2,4,6-trinitrophenolate]–picric acid (2/1)}, 2C10H14ClN2+2C6H5N3O7C6H6N3O7, crystallized with two independent 1-(3-chlorophenyl)piperazinium cations, two picrate anions and a picric acid molecule in the asymmetric unit
In the picric acid molecule, the mean planes of the nitro groups in the ortho, meta, and parapositions are twisted from the benzene ring by 31.5 (3), 7.7 (1), and 3.8 (2), respectively
The dihedral angles between the benzene ring and the ortho, meta, and para-nitro groups are 36.7 (1), 5.0 (6), 4.8 (2), and 34.4 (9), 15.3 (8), 4.5 (1), respectively
Summary
The title salt {systematic name: bis[1-(3-chlorophenyl)piperazinium 2,4,6-trinitrophenolate]–picric acid (2/1)}, 2C10H14ClN2+2C6H5N3O7C6H6N3O7, crystallized with two independent 1-(3-chlorophenyl)piperazinium cations, two picrate anions and a picric acid molecule in the asymmetric unit. Crystal structure of 1-(3-chlorophenyl)piperazin-1-ium picrate–picric acid (2/1) The nitro group in one anion is disordered and was modeled with two sites for one O atom with an occupancy ratio of 0.627 (7):0.373 (7).
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