（2S，4R）-4-（4-溴苯基）-2-羟基-5,10-二氧代-3,4,5,10-四氢-2H-苯并[g]色烯-2-羧酸乙酯
Ethyl (2S,4R)-4-(4-bromo-phen-yl)-2-hydr-oxy-5,10-dioxo-3,4,5,10-tetra-hydro-2H-benzo[g]chromene-2-carboxyl-ate.
作者信息
Zhang Wei, Wang Yifeng, Zhang Guangcun, Xu Xiangsheng
机构信息
State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, Zhejiang University of Technology, Hangzhou 310014, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 16;66(Pt 2):o388. doi: 10.1107/S1600536810001315.
In the crystal structure of the title compound, C(22)H(17)BrO(6), the quinone ring makes a dihedral angle of 81.84 (3)° with the benzene ring. The chiral C atoms, viz. the ring C atoms bearing the hydr-oxy and bromo-phenyl substituents, exhibit R and S configurations, respectively. The terminal ethyl group of the -CO(2)CH(2)CH(3) group is disordered over two sets of sites with site-occupancy factors of 0.64 (1) and 0.36 (1). Inter-molecular O-H⋯O inter-actions further stabilize the crystal packing.
在标题化合物C₂₂H₁₇BrO₆的晶体结构中，醌环与苯环形成的二面角为81.84 (3)°。手性碳原子，即带有羟基和溴苯基取代基的环碳原子，分别呈现R和S构型。-CO₂CH₂CH₃基团的末端乙基在两组位置上无序排列，占位因子分别为0.64 (1)和0.36 (1)。分子间的O-H⋯O相互作用进一步稳定了晶体堆积。
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