Photosynthesis and Molecular Structure of 2-Amino-3H-phenoxazin-3-one

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)A, β = 99.38(1)°, V = 956.2(5)A3, Z = 4, Dc = 1.474 g/cm3, μ = 0.103 mm-1, R = 0.054, wR = 0.074 for 785 observed reflections (I > 2σ(I)). The molecule consists of three coplanar rings. Much different C-C distances (1.494(4)A and 1.343(6) A) observed within the quinoidal ring show the pattern of bond fixation expected for the Kekule formula.

作 者： 聶晶晶 徐端鈞   作者單位： Department of Chemistry, Zhejiang University, Hangzhou 310027, China  刊 名： 結(jié)構(gòu)化學  ISTIC SCI PKU 英文刊名： CHINESE JOURNAL OF STRUCTURAL CHEMISTRY  年，卷(期)： 2002 21(2)  分類號： O64  關(guān)鍵詞： 2-amino-3H-phenoxazin-3-one   photosynthesis