Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)


organic compounds



wn2456 scheme

Acta Cryst. (2012). E68, o41-o42    [ doi:10.1107/S1600536811051890 ]

Kallolide A acetate pyrazoline

I. Rodríguez-Escudero, J. Marrero and A. D. Rodríguez

Abstract: In the crystal structure of kallolide A acetate pyrazoline [systematic name: 7-methyl-16-oxo-4,10-bis(prop-1-en-2-yl)-17,18-dioxa-14,15-diazatetracyclo[9.4.2.16,9.01,12]octadeca-6,8,14-trien-5-yl acetate], C23H28N2O5, there is a 12-membered carbon macrocyclic structure. In addition, there is a trisubstituted furan ring, an approximately planar [gamma]-lactone ring [maximum deviation of 0.057 (3) Å] and a pyrazoline ring, the latter in an envelope conformation. The pyrazoline and the [gamma]-lactone rings are fused in a cis configuration. In the crystal, molecules are linked by weak C-H...O interactions, forming a two-dimensional network parallel to (001). An intramolecular C-H...O hydrogen bond is also present.


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