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Unclassical hydrogen bonds of C—H⋅sO and C—H⋅sN in the crystals of 2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-1,4,5,6-tetrahydro-4H-pyrano[2,3-d]pyrimidine

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Abstract

The 2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-1,4,5,6-tetrahydro-4H-pyrano[2,3-d] pyrimidine (1, C17H15Cl2N5O3) was synthesized and characterized by IR,1H NMR and elemental analysis. The molecular structure of1 was further studied by using X-ray crystallography. The crystals of compound1 are triclinic, space groupP-1,a = 6.0090(4) Å,b = 10.4056(7) Å,c = 15.6021(11) Å, α = 70.983(4), β = 84.056(6), γ = 84.611(6),Z = 2,V = 915.47(11) Å3. Two types of unclassical hydrogen bonds C–H⋅sO and C–H⋅sN were presented in the crystals. In addition, there were classical hydrogen bonds in the crystal structure.

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Authors and Affiliations

  1. Department of Chemistry, Xuzhou Normal University, Xuzhou, Jiangsu, China

    Xiang-Shan Wang, Zhao-Sen Zeng, Da-Qing Shi & Shu-Jiang Tu

  2. School of Chemical Engineering, China University of Mining and Technology, Xuzhou, Jiangsu, China

    Xiang-Shan Wang, Xian-Yong Wei & ZhiMin Zong

  3. The Key Laboratory of Biotechnology on Medical Plant of Jiangsu Province, Xuzhou, China

    Xiang-Shan Wang, Da-Qing Shi & Shu-Jiang Tu

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  1. Xiang-Shan Wang
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  2. Zhao-Sen Zeng
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  3. Da-Qing Shi
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  4. Shu-Jiang Tu
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  5. Xian-Yong Wei
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Correspondence to Xiang-Shan Wang.

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Wang, XS., Zeng, ZS., Shi, DQ. et al. Unclassical hydrogen bonds of C—H⋅sO and C—H⋅sN in the crystals of 2-amino-3-cyano-4-(3,4-dichlorophenyl)-5-oxo-1,4,5,6-tetrahydro-4H-pyrano[2,3-d]pyrimidine. J Chem Crystallogr 35, 999–1004 (2005). https://doi.org/10.1007/s10870-005-5838-9

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  • DOI: https://doi.org/10.1007/s10870-005-5838-9

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