Dhanabalan Nallathambi, Thanigaimani Kaliyaperumal, Arshad Suhana, Razak Ibrahim Abdul, Santhanaraj K Joseph
Department of Chemistry, Roever College of Engineering and Technology, Elambalur, Perambalur 621 212, Tamil Nadu, India.
School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 17;70(Pt 6):o657-8. doi: 10.1107/S160053681401023X. eCollection 2014 Jun 1.
The asymmetric unit of the title hydrated salt, C13H11N2 (+)·C7H6NO2 (-)·2H2O, consists of two independent 9-amino-acridinium cations, two 4-amino-benzoate anions and four water mol-ecules. Both 9-amino-acridinium cations are essentially planar, with maximum deviations of 0.034 (1) and 0.025 (2) Å, and are protonated at the pyridine N atoms. The 4-amino-benzoate anions are approximately planar, with dihedral angles of 9.16 (19) and 5.4 (2)° between the benzene ring and the carboxyl-ate 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 mol-ecules, 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 π-π inter-actions [centroid-centroid distances = 3.6343 (9)-3.8366 (10) Å] and a C-H⋯π inter-action.
标题水合盐C13H11N2(+)·C7H6NO2(-)·2H2O的不对称单元由两个独立的9-氨基吖啶鎓阳离子、两个4-氨基苯甲酸根阴离子和四个水分子组成。两个9-氨基吖啶鎓阳离子基本呈平面状，最大偏差分别为0.034(1)和0.025(2)Å，且在吡啶N原子处质子化。4-氨基苯甲酸根阴离子近似呈平面状，苯环与羧酸根基团之间的二面角分别为9.16(19)和5.4(2)°。在晶体中，两个独立的阴离子通过N-H⋯O氢键相连，形成平行于(100)的层。这些层通过阳离子通过N-H⋯N和N-H⋯O氢键相连。水分子沿b轴方向形成O-H⋯O氢键链，通过O-H⋯O、N-H⋯O和C-H⋯O氢键连接阴离子和阳离子。晶体结构还具有π-π相互作用[质心-质心距离 = 3.6343(9)-3.8366(10)Å]和C-H⋯π相互作用。
