Arman Hadi D, Kaulgud Trupta, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 30;66(Pt 10):o2684. doi: 10.1107/S1600536810038390.
The asymmetric unit of the title 1:2 adduct, C(12)H(10)N(4)·2C(8)H(8)O(2), comprises a single mol-ecule of 2-phenyl-acetic acid and half a mol-ecule of 3-pyridine-aldazine; the latter is completed by crystallographic inversion symmetry. In the crystal, mol-ecules are connected into a three-component aggregate via O-H⋯N hydrogen bonds. As the carboxyl group lies above the plane through the benzene ring to which it is attached [C-C-C-C = 62.24 (17)°] and the 4-pyridine-aldazine mol-ecule is almost planar (r.m.s. deviation of the 16 non-H atoms = 0.027 Å), the overall shape of the aggregate is that of a flattened extended chair. Layers of these aggregates are connected by C-H⋯O and C-H⋯π inter-actions and stack parallel to (220).
标题为1:2加合物C(12)H(10)N(4)·2C(8)H(8)O(2)的不对称单元包含一个2-苯基乙酸分子和半个3-吡啶醛腙分子；后者通过晶体学倒转对称性形成完整分子。在晶体中，分子通过O-H⋯N氢键连接成一个三组分聚集体。由于羧基位于与其相连的苯环平面上方[C-C-C-C = 62.24 (17)°]，且4-吡啶醛腙分子几乎是平面的（16个非H原子的均方根偏差 = 0.027 Å），聚集体的整体形状为扁平的伸展椅形。这些聚集体层通过C-H⋯O和C-H⋯π相互作用连接，并平行于(220)堆叠。
