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Synthesis and crystal structure of 1-acetyl-3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine

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Abstract

1-Acetyl-3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine (1) was prepared and its structure was determined by X-ray diffraction. Crystallization of 1 occurs in the monoclinic space group P21/c with a =15.180(5) Å, b = 9.216(4) Å, c =10.129(7) Å; β = 101.99(5)°; and Z =4. The structure was solved by direct methods and refined to an R value of 0.0414. The central six-membered ring of the compound of 1 has a boat conformation and is not homoaromatic.

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Authors and Affiliations

  1. College of Pharmaceutical Science, Zhejiang University of Technology, Hangzhou, 310014, People's Republic of China

    Guowu Rao & Weixiao Hu

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  1. Guowu Rao
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  2. Weixiao Hu
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Correspondence to Weixiao Hu.

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Rao, G., Hu, W. Synthesis and crystal structure of 1-acetyl-3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine. Journal of Chemical Crystallography 34, 207–210 (2004). https://doi.org/10.1023/B:JOCC.0000021567.28429.07

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  • DOI: https://doi.org/10.1023/B:JOCC.0000021567.28429.07

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