The single crystal of the title compound (C12H8N2O2, Mr = 212.20) has been obtained by oxidation of 2-aminophenol in methanol solution with irradiation of sunlight. The crystal belongs to monoclinic space group P21/c ...The single crystal of the title compound (C12H8N2O2, Mr = 212.20) has been obtained by oxidation of 2-aminophenol in methanol solution with irradiation of sunlight. The crystal belongs to monoclinic space group P21/c with cell dimensions of a = 12.925(2), b = 5.077(3), c = 14.768(3)? b = 99.38(1), V = 956.2(5)?, Z = 4, Dc = 1.474 g/cm3, = 0.103 mm-1, R = 0.054, wR = 0.074 for 785 observed reflections (I > 2s(I)). The molecule consists of three coplanar rings. Much different CC distances (1.494(4)?and 1.343(6) ? observed within the quinoidal ring show the pattern of bond fixation expected for the Kekule formula.展开更多
The title compounds were prepared by the enzymatic resolution of the corresponding N-acetylated DL-amino acids methyl esters, which were obtained from t-butyl chloride via an 8-step synthesis.
基金The work was supported by the National Natural Science Foundation of China (29973036)
文摘The single crystal of the title compound (C12H8N2O2, Mr = 212.20) has been obtained by oxidation of 2-aminophenol in methanol solution with irradiation of sunlight. The crystal belongs to monoclinic space group P21/c with cell dimensions of a = 12.925(2), b = 5.077(3), c = 14.768(3)? b = 99.38(1), V = 956.2(5)?, Z = 4, Dc = 1.474 g/cm3, = 0.103 mm-1, R = 0.054, wR = 0.074 for 785 observed reflections (I > 2s(I)). The molecule consists of three coplanar rings. Much different CC distances (1.494(4)?and 1.343(6) ? observed within the quinoidal ring show the pattern of bond fixation expected for the Kekule formula.
基金This work was supported by the Natural Science Foundation of Jiangsu Province.
文摘The title compounds were prepared by the enzymatic resolution of the corresponding N-acetylated DL-amino acids methyl esters, which were obtained from t-butyl chloride via an 8-step synthesis.
