Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 8 (August 2005)


organic compounds



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Acta Cryst. (2005). C61, o496-o499    [doi:10.1107/S0108270105015064]

3-(Triphenylphosphoranylidene)pentane-2,4-dione and diethyl 2-(triphenylphosphoranylidene)malonate

F. Castañeda, C. Aliaga, C. A. Bunton, M. T. Garland and R. Baggio

Abstract: The title ylides, 3-(triphenylphosphoranylidene)pentane-2,4-dione, C23H21O2P, (I), and diethyl 2-(triphenylphosphoranylidene)malonate, C25H25O4P, (II), differ in the conformations adopted by their extended ylide moieties. In (I), one carbonyl O atom is syn and the other is anti with respect to the P atom, the ylide group is nearly planar, with a maximum P-C-(C=O) angle of 18.2  (2)°, and the P-C, C-C and C=O bond lengths are consistent with electronic delocalization involving the O atoms. In (II), both carbonyl O atoms are anti and the ester groups are twisted out of the plane of the near trigonal ylide C atom, reducing delocalization, the largest P-C-(C=O) angle being 30.2  (2)°.

Formula: C23H21O2P and C25H25O4P


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Structure factor file (CIF format) (166.4 kbytes)
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (194.0 kbytes)
Contains datablock II


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