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Synthesis and Crystal Structure of Compound 1-Phenyl-2-(1H-1,2,4-triazolo-yl)-3-phenyl-propen-1-one and 1-Diphenyl-3-(1,2,4-triazolo-yl)-1H,4H-1,5-benzothiazepine

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Abstract

The crystal structures of the compounds 1-phenyl-2-(1H-1,2,4-triazolo-yl)-3-phenyl-propen-1-one (2), and 2,4-diphenyl-3-(1,2,4-triazolo-yl)-1H,4H-1,5-benzothiazepine (3) were obtained by single crystal X-ray diffraction. Compound 2 crystallizes in the triclinic system with space group P − 1, a = 8.5553(17) Å, b = 9.6229(19) Å, c = 9.924(2) Å, α = 106.16(3)°, β = 108.03(3)°, γ = 105.14(3)°, V = 690.1(2) Å3, Z = 2. The compound 3 crystallizes in the orthorhombic system with space group Pbca, a = 12.904(3) Å, b = 15.864(3) Å, c = 19.140(4) Å, α = 90°, β = 90°, γ = 90°, V = 3918.3(14) Å3, Z = 8. H-bonds and π–π stacking are the main non-bonding interactions in the molecular structure. Details of the synthesis, structures, and spectroscopic properties of the two compounds are discussed.

Graphical Abstract

The crystal structures of the compounds 1-phenyl-2-(1H-1,2,4-triazolo-yl)-3-phenyl-propen-1-one (2), and 2,4-diphenyl-3-(1,2,4-triazolo-yl)-1H,4H-1,5-benzothiazepine (3) were obtained by single crystal X-ray diffraction. Compound 2 crystallizes in the triclinic system with space group P − 1, a = 8.5553(17) Å, b = 9.6229(19) Å, c = 9.924(2) Å, α = 106.16(3)°, β = 108.03(3)°, γ = 105.14(3)°, V = 690.1(2) Å3, Z = 2. The compound 3 crystallizes in the orthorhombic system with space group Pbca, a = 12.904(3) Å, b = 15.864(3) Å, c = 19.140(4) Å, α = 90°, β = 90°, γ = 90°, V = 3918.3(14) Å3, Z = 8. H-bonds and π–π stacking are the main non-bonding interactions in the molecular structure. Details of the synthesis, structures, and spectroscopic properties of the two compounds are discussed.

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Acknowledgements

The authors thank the National Natural Science Foundation of China (No: 20562011, 20662009) for financial support.

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Authors and Affiliations

  1. College of Materials and Chemical Engineering, Hangzhou Normal University, Hangzhou, 310036, People’s Republic of China

    Sheng-Qin Chen & Fang-Ming Liu

  2. College of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, People’s Republic of China

    Fang-Ming Liu

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  1. Sheng-Qin Chen
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  2. Fang-Ming Liu
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Correspondence to Fang-Ming Liu.

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Chen, SQ., Liu, FM. Synthesis and Crystal Structure of Compound 1-Phenyl-2-(1H-1,2,4-triazolo-yl)-3-phenyl-propen-1-one and 1-Diphenyl-3-(1,2,4-triazolo-yl)-1H,4H-1,5-benzothiazepine. J Chem Crystallogr 41, 485–490 (2011). https://doi.org/10.1007/s10870-010-9906-4

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