Sarveswari S, Vijayakumar V, Prasath R, Narasimhamurthy T, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 24;66(Pt 12):o3284. doi: 10.1107/S1600536810048026.
The title hydrate, C(27)H(23)NO(2)·H(2)O, features an almost planar quinoline residue (r.m.s. deviation = 0.015 Å) with the benzene [dihedral angle = 63.80 (7) °] and chalcone [C-C-C-O torsion angle = -103.38 (18)°] substituents twisted significantly out of its plane. The configuration about the C=C bond [1.340 (2) Å] is E. In the crystal, mol-ecules related by the 2(1) symmetry operation are linked along the b axis via water mol-ecules that form O-H⋯O(c) and O-H⋯N(q) hydrogen bonds (c = carbonyl and q = quinoline). A C-H⋯O inter-action also occurs.
标题水合物C(27)H(23)NO(2)·H(2)O的特征是具有一个近乎平面的喹啉残基(均方根偏差 = 0.015 Å),苯环[二面角 = 63.80 (7)°]和查耳酮[C-C-C-O扭转角 = -103.38 (18)°]取代基显著扭曲于其平面之外。C=C键[1.340 (2) Å]的构型为E型。在晶体中,通过2(1)对称操作相关的分子沿b轴通过水分子相连,这些水分子形成O-H⋯O(c)和O-H⋯N(q)氢键(c = 羰基,q = 喹啉)。还存在C-H⋯O相互作用。