Sharif Mahboubeh A, Tabatabaee Masoumeh, Adinehloo Mahnaz, Aghabozorg Hossein
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3232. doi: 10.1107/S1600536810046866.
In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-)·1.5H(2)O, extensive O-H⋯O, O-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds, as well as ion pairing, π-π stacking inter-actions [centroid-centroid distances = 3.4690 (8) and 3.6932 (8) Å between aromatic rings] occur in the crystal. There are hydrogen-bonding inter-actions between water mol-ecules, which result in cyclic tetra-meric water clusters. One of the water O molecules has half occupancy. In the anion molecules, the -CO(2) and -CO(2)H groups make torsion angles of 1.73 (18) and -12.14 (18)° with respect to the ring.
在标题化合物C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-)·1.5H(2)O中,晶体中存在广泛的O-H⋯O、O-H⋯N、N-H⋯O和C-H⋯O氢键,以及离子对、π-π堆积相互作用[芳香环之间的质心-质心距离 = 3.4690 (8) 和3.6932 (8) Å]。水分子之间存在氢键相互作用,形成环状四聚体水簇。其中一个水分子的O原子占有率为一半。在阴离子分子中,-CO(2)和-CO(2)H基团相对于环的扭转角分别为1.73 (18) 和 -12.14 (18)°。