Fun Hoong-Kun, Ooi Chin Wei, Garudachari B, Shivananda Kammasandra Nanjunda, Isloor Arun M
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2210-1. doi: 10.1107/S1600536812027936. Epub 2012 Jun 27.
In the title compound, C(27)H(27)N(3)O(5)·2H(2)O, the dihydro-pyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003 (1) Å] and makes dihedral angles of 50.42 (6) and 26.44 (6)° with the benzene rings. In the crystal, mol-ecules are linked via N-H⋯O, O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds into two-dimensional networks parallel to the bc plane. The crystal structure is further consolidated by weak C-H⋯π inter-actions.
在标题化合物C(27)H(27)N(3)O(5)·2H(2)O中,二氢吡啶环呈扁平船式构象。中心吡唑环基本为平面结构[最大偏差为0.003 (1) Å],与苯环的二面角分别为50.42 (6)°和26.44 (6)°。在晶体中,分子通过N-H⋯O、O-H⋯O、O-H⋯N和C-H⋯O氢键连接成平行于bc平面的二维网络。晶体结构通过弱C-H⋯π相互作用进一步巩固。