摘要
The title compound, 5-（1H-benzoimidazol-2-yl）-3H-[1,2,3]triazole-4-carboxylic acid （CIoH.7Ns.O2.C3H7NO, M,..= 302.30）, has been synthesized and characterized by FT-IR and ES1-MS, ~H-NMR spectroscopy and X-ray single-crystal diffraction. Crystal structure of the title compound was grown from DMF by slow diffusion at room temperature. Crystal data： orthorhombic structure, space group Pna2＋ with a = 6.9635（3）, b = 19.4398（7）, c = 30.6165（12） A, V = 4144.5（3） A3, Z = 12, Dc = 1.454 g/cm3,/l（MoKa） = 0.108 mm-1, and F（000） = 1896. The structure was refined to R = 0.0450 and wR = 0.0975 for 3578 observed reflections with 1 〉 2σ（I）. The interm01ecular hydrogen bonds and π-π stacking further stabilize the structure.
The title compound, 5-（1H-benzoimidazol-2-yl）-3H-[1,2,3]triazole-4-carboxylic acid （CIoH.7Ns.O2.C3H7NO, M,..= 302.30）, has been synthesized and characterized by FT-IR and ES1-MS, ~H-NMR spectroscopy and X-ray single-crystal diffraction. Crystal structure of the title compound was grown from DMF by slow diffusion at room temperature. Crystal data： orthorhombic structure, space group Pna2＋ with a = 6.9635（3）, b = 19.4398（7）, c = 30.6165（12） A, V = 4144.5（3） A3, Z = 12, Dc = 1.454 g/cm3,/l（MoKa） = 0.108 mm-1, and F（000） = 1896. The structure was refined to R = 0.0450 and wR = 0.0975 for 3578 observed reflections with 1 〉 2σ（I）. The interm01ecular hydrogen bonds and π-π stacking further stabilize the structure.
基金
Supported by NNSFC(No.91022015)
