9-Aminoacridin-10-ium 4-aminobenzoate dihydrate

• Main Authors: Dhanabalan, Nallathambi (Author), Thanigaimani, Kaliyaperumal (Author), Arshad, Suhana (Author), Razak, Ibrahim Abdul (Author), Santhanaraj, K. Joseph (Author)
• Format: Article
• Language: English
• Published: International Union of Crystallography, 2014.
• Subjects: QC1-999 Physics
• Online Access: Get fulltext

 The asymmetric unit of the title hydrated salt, C13H11N2 +.-C7H6NO2-.2H2O, consists of two independent 9-aminoacridinium cations, two 4-aminobenzoate anions and four water molecules. Both 9-aminoacridinium cations are essentially planar, with maximum deviations of 0.034 (1) and 0.025 (2) A ° , and are protonated at the pyridine N atoms. The 4-aminobenzoate anions are approximately planar, with dihedral angles of 9.16 (19) and 5.4 (2)° between the benzene ring and the carboxylate group. In the crystal, the two independent anions are connected by N-H...O hydrogen bonds, forming a layer parallel to (100). The layers are connected through the cations by N-H...N and N-H...O hydrogen bonds. The water molecules, which form O-H...O hydrogen-bonded chains along the b-axis direction, connect the anions and the cations by O-H...O, N-H...O and C- H...O hydrogen bonds. The crystal structure also features n-n interactions [centroid-centroid distances = 3.6343 (9)- 3.8366 (10) A °] and a C-H...n interaction.