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Synthesis and Crystal Structure of 3-Methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole

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Abstract

The title compound, 3-methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole was synthesized by reaction of diphenylphosphazoanilide with N-acetyl-N′-(2-pyridoyl)hydrazine. Crystals suitable for X-ray analysis were obtained from a mixed solution of water and ethanol in a one-to-one volume ratio. The crystal is orthorhombic, space group P212121 with crystallographic parameters: a = 19.414(4) Å, b = 17.172(3) Å, c = 7.4850(15) Å, β = 90.00°, μ = 0.079 mm−1, V = 2495.3(8) Å3, Z = 8, Dc = 1.258 g/cm3, F(000) = 992, T = 295(2) K. The X-ray results showed that in the crystal structure of the title compound, the 1,2,4-triazole, pyridine and benzene rings are not coplanar.

Index Abstract

The title compound was synthesized by reaction of diphenylphosphazoanilide with N-acetyl-N′-(2-pyridoyl)hydrazine, and the crystal structure shows that its three aromatic rings (1,2,4-triazole, pyridine and benzene rings) do not share a common plane.

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Acknowledgments

We are grateful for the support provided by the National Natural Science Foundation of China (30570518), the Science Foundation of the Health Department of Jiangsu Province (H200401) and the High Technology Research and Development Program of Jiangsu Province (BG2007603).

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Authors and Affiliations

  1. The Key Laboratory of Nuclear Medicine, Ministry of Health P.R. China, Jiangsu Institute of Nuclear Medicine, 20 Qianrong Road, 214063, Wuxi, People’s Republic of China

    Chunyi Liu, Xiaomin Li, Songpei Wang, Jie Tang & Zhengping Chen

  2. Department of Chemistry & Chemical Engineering, Southeast University, 210096, Nanjing, People’s Republic of China

    Zuoxiang Wang & Yan Lan

  3. New Materials & Function Coordination Chemistry Laboratory, Qingdao University of Science & Technology, 266042, Qingdao, People’s Republic of China

    Hailian Xiao

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  1. Chunyi Liu
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  2. Zuoxiang Wang
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  4. Yan Lan
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  5. Xiaomin Li
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Correspondence to Zhengping Chen.

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Liu, C., Wang, Z., Xiao, H. et al. Synthesis and Crystal Structure of 3-Methyl-4-phenyl-5-(2-pyridyl)-1,2,4-triazole. J Chem Crystallogr 39, 881–884 (2009). https://doi.org/10.1007/s10870-009-9583-3

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  • DOI: https://doi.org/10.1007/s10870-009-9583-3

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