Chen Min-E, Li Jia-Ming
Department of Chemistry and Biology, Laboratory of Beibu Gulf Marine Protection and Exploitation, Qinzhou University, Qinzhou, Guangxi 535000, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 14;65(Pt 2):o295. doi: 10.1107/S160053680900110X.
The asymmetric unit of the title compound, C(19)H(18)N(4)O(2)·0.25H(2)O, contains two organic mol-ecules and a solvent water mol-ecule with 50% occupancy. The two molecules differ in their conformations: in one mol-ecule it is (+)gauche-trans-trans-(+)gauche-trans, whereas in the other it is (-)gauche-trans-trans-(-)gauche-trans. The dihedral angles between the pyridine ring and the quinoline ring system are 67.4 (3) and 68.0 (2)°. Mol-ecules are linked into a supra-molecular two-dimensional array via N-H⋯N hydrogen bonds, with each partially occupied water mol-ecule connected via an O-H⋯O hydrogen bond. C-H⋯O inter-actions are also present.
标题化合物C(19)H(18)N(4)O(2)·0.25H(2)O的不对称单元包含两个有机分子和一个占有率为50%的溶剂水分子。这两个分子的构象不同:一个分子为(+)gauche-反-反-(+)gauche-反,而另一个为(-)gauche-反-反-(-)gauche-反。吡啶环与喹啉环系统之间的二面角分别为67.4 (3)°和68.0 (2)°。分子通过N-H⋯N氢键连接成超分子二维阵列,每个部分占据的水分子通过O-H⋯O氢键连接。还存在C-H⋯O相互作用。