Synthesis and Crystal Structure of a Luminescent Compound 5-（1H-benzoimidazol-2-yl）- 3H-[ 1,2,3 ] triazole-4-carboxylic Acid

• 作者: SONG Ji-Rong SUN Chen-Guang XU Kang-Zhen ZENG Ming-Hua
• 来源期刊: 结构化学
• 学科: 化学
• 关键词: 标题化合物 晶体结构 苯并咪唑 合成 三唑 羧酸 X-射线单晶衍射 发光
• 年，卷（期）: 2012,（11）
• 页码范围: 1662-1668
• 页数: 7页
• 分类号: O623.738|O614.121
• 语种: 英文

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.

作者信息

序号	姓名	单位	发文数	被引次数	H指数	G指数
1	SUN Chen-Guang		1	0	0.0	0.0
2	ZENG Ming-Hua		1	0	0.0	0.0
3	XU Kang-Zhen		1	0	0.0	0.0
4	SONG Ji-Rong		1	0	0.0	0.0