Loh Wan-Sin, Fun Hoong-Kun, Kayarmar Reshma, Viveka S, Nagaraja G K
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o407-8. doi: 10.1107/S1600536811001577.
In the title compound, C(21)H(20)ClN(5)·H(2)O, the 1H-imidazo[4,5-c]quinoline ring is approximately planar, with a maximum deviation of 0.0795 (7) Å, and it forms a dihedral angle of 7.65 (3)° with the chloro-phenyl ring. In the crystal, the components are linked into chains along the a axis via inter-molecular N-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds. One of the H atoms of the water mol-ecule is disordered over two positions with a site-occupancy ratio of 0.80 (4):0.20 (4).
在标题化合物C₂₁H₂₀ClN₅·H₂O中,1H - 咪唑并[4,5 - c]喹啉环近似平面,最大偏差为0.0795(7) Å,且它与氯苯环形成7.65(3)°的二面角。在晶体中,各组分通过分子间的N - H⋯O、O - H⋯N和C - H⋯O氢键沿a轴连接成链。水分子的一个H原子在两个位置上无序,占位比为0.80(4):0.20(4)。