Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 3 (March 2004)



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Acta Cryst. (2004). C60, o208-o210    [doi:10.1107/S0108270104001659]

A pair of epimeric 13-hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexahydro-9H-9a-azacyclopenta[b]triphenylene-10-ones

C. Nygren, T. Chen, S. Zhong, C. Kaczmarek, J. F. C. Turner and D. C. Baker

Abstract: The structures of two compounds which are intermediates in the synthesis of phenanthroindolizidine alkaloids have been determined. (8bS,13aS,14R,14aR)-8b,9,11,12,13,13a,14,14a-Octahydro-14-hydroxy-2,3,6,7-tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one acetone solvate, C24H27NO6·C3H6O, (II), crystallizes in a chiral space group with one solvent molecule (acetone) present in the asymmetric unit. On the other hand, (8bS,13aS,14S,14aR)-8b,9,11,12,13,13a,14,14a-octahydro-14-hydroxy-2,3,6,7-tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one, C24H27NO6, (III), crystallizes in a centrosymmetric space group with two molecules in the asymmetric unit and with no solvent present. The two molecules in the asymmetric unit of (III) are structurally the same. Compounds (II) and (III) are epimers at the C atom carrying the OH group; otherwise they are very similar in structure.

Formula: C24H27NO6·C3H6O and C24H27NO6

Online 19 February 2004


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Structure factor file (CIF format) (247.8 kbytes)
Contains datablock II


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Structure factor file (CIF format) (343.6 kbytes)
Contains datablock III


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