通过单晶X射线衍射测定了奥扎格雷的晶体结构.晶体属正交晶系,空间群为P212121,晶胞参数为a=0.62522(6)nm,b=0.91897(8)nm,c=1.95789(18)nm,V=1.12492(18)nm^3,Z=4.通过紫外光谱和荧光光谱pH滴定研究了其基态和激发态酸碱性质,测定了奥扎格雷的基态和激发态酸式电离常数.结果表明奥扎格雷是一个pH诱导的荧光分子开关.
Crystal structure of ozagrel was determined by X-ray diffraction. The compound was crystallized in the orthorhornbic space group P212121. The lattice parameters are, a=0.62522(6) nm, b=0.91897(8) nm, c=1.95789(18) nm, V=1.12492 (18) nm^3, Z=4. The ground- and excited-state acid-base properties of ozagrel were studied using UV and emission spectrophotometric pH titrations, and the ground- and excited-state acidity constants were derived. The results showed that ozagrel acted as a pH induced on/off luminescence switch.