Ramli Youssef, Zouihri Hafid, Essassi El Mokhtar, Ng Seik Weng
Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o241. doi: 10.1107/S1600536811054481. Epub 2011 Dec 23.
In the title compound, C(23)H(24)N(4)O(3)·H(2)O, the 1,3-oxazoline ring is nearly planar [maximum deviation = 0.059 (2) Å] and its mean plane is twisted by 30.12 (8)° with respect to the quinoxaline fused-ring system; the benzene ring is nearly coplanar with the quinoxaline fused-ring system [dihedral angle = 2.52 (2)°]. The water mol-ecule of crystallization is hydrogen-bond donor to an N atom of the quinoxaline ring system as well as an O atom of the oxazolinone unit, the two hydrogen bonds generating a chain running along the c axis.
在标题化合物C₂₃H₂₄N₄O₃·H₂O中,1,3 - 恶唑啉环近乎平面(最大偏差 = 0.059 (2) Å),其平均平面相对于喹喔啉稠环体系扭转了30.12 (8)°;苯环与喹喔啉稠环体系近乎共平面(二面角 = 2.52 (2)°)。结晶水分子作为氢键供体与喹喔啉环体系的一个N原子以及恶唑啉酮单元的一个O原子形成氢键,这两个氢键形成了一条沿c轴延伸的链。