Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 8 (August 2002)

Acta Cryst. (2002). C58, o447-o449 [doi:10.1107/S0108270102007503]

Two (E,E)- and (Z,E)-thiazol-5-ylpenta-2,4-dienones

L. Breydo, C. L. Barnes and K. S. Gates

Abstract: In order to characterize the structural elements that might play a role in non-covalent DNA binding by the antitumor antibiotic leinamycin, we have solved the crystal structures of the two leinamycin analogs, methyl (R)-5-{2-[1-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl}penta-(E,E)-2,4-dienoate, C₁₆H₂₂N₂O₄S, (II), and 2-methyl-8-oxa-16-thia-3,17-diazabicyclo[12.2.1]heptadeca-(Z,E)-1(17),10,12,14-tetraene-4,9-dione, C₁₄H₁₆N₂O₃S, (III). The penta-2,4-dienone moiety in both of these analogs adopts a conformation close to planarity, with the thiazole ring twisted out of the plane by 12.9 (2)° in (II) and by 21.4 (4)° in (III).

Formula: C₁₆H₂₂N₂O₄S and C₁₄H₁₆N₂O₃S

Online 12 July 2002


	Structure factor file (CIF format) (138.4 kbytes) Contains datablock II

	Structure factor file (CIF format) (117.5 kbytes) Contains datablock III

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