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Synthesis and Crystal Structure of 1,3-disubstituted-2-propyleno-1-one Containing Pyrazole Moiety

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Abstract

A series of novel 1,3-disubstituted-2-propyleno-1-one derivatives containing pyrazole ring were synthesized and characterized by IR, MS, H1NMR and elemental analysis. The structure of C25H20N2O2 (3a) was determined by single crystal X-ray crystallography. C25H20N2O2 is monoclinic with space group P21/c and cell constans: a = 9.863(2)Å, b = 20.054(4)Å, c = 10.274(2)Å V = 2028.0(7)Å3 and Z = 4. In addition, the crystal structure was solved by direct methods and refined by full-matrix least-squares on F 2 to final values of R1 = 0.0657 and wR2 = 0.1806, and it shows that the complex units are linked by non-classical hydrogen-bonding. The molecule adopts a trans configuration about the central C = C double bond. The crystal structure is stabilized by C–O···π intermolecular hydrogen bonds and π–π stacking interactions.

Graphical Abstract

A series of novel 1,3-disubstituted-2-propyleno-1-one derivatives containing pyrazole ring were synthesized and characterized by IR, MS, H1NMR and elemental analysis. The structure of C25H20N2O2(3a) was determined by single crystal X-ray crystallography.

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Acknowledgments

This work was supported by the National Natural Science Foundation of China (no. 20562011, 20662009).

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Authors and Affiliations

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

    Y.-L. Zhou & Fang-Ming Liu

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

    X.-L. Wu & Fang-Ming Liu

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  1. Y.-L. Zhou
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  2. X.-L. Wu
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  3. Fang-Ming Liu
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Correspondence to Fang-Ming Liu.

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Zhou, YL., Wu, XL. & Liu, FM. Synthesis and Crystal Structure of 1,3-disubstituted-2-propyleno-1-one Containing Pyrazole Moiety. J Chem Crystallogr 41, 449–452 (2011). https://doi.org/10.1007/s10870-010-9899-z

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  • DOI: https://doi.org/10.1007/s10870-010-9899-z

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