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

Author： Zhou Y.-L.   Wu X.-L.   Liu Fang-Ming  

Publisher： Springer Publishing Company

ISSN： 1074-1542

Source： Journal of Chemical Crystallography, Vol.41, Iss.4, 2011-04, pp. : 449-452

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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.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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