Structure of a novel bisindole derivative.
(3aR-[3a alpha,4 beta,5a beta,9[1R,3R(2S),5R,7aS,-12aS],10bR,13a alpha])-Methyl-4-(acetyloxy)-3a-ethyl-3a,4,5,5a,6,11,12,13a-oct ahy dro-9- [1,2,3,4,6,7,7a,- 12-octahydro-3-(2-hydroxy-2-hydroxymethylbutyl)- 1-(methoxycarbonyl)indolizino[1,2-b]indol-7a-yl]-5- hydroxy-8-methoxy-6-methyl-1H-indolizino[8,1-c,d]- carbazole-5-carboxylate methanol hydrate solvate, C46H60N4O10.CH3OH.H2O, Mr = 879 x 06, monoclinic, P2(1), a = 8 x 2878 (8), b = 31 x 018 (4), c = 9 x 2267 (7) A, beta = 105 x 211 (7) degrees, V = 2288 x 8 (4) A3, Z = 2, Dx = 1 x 28 g cm-3, mu = 0 x 8580 cm-1, Mo K alpha radiation, lambda = 0 x 7107 A, F(000) = 944, T = 198 K, R = 0 x 0382 for 2931 reflections [Fo greater than or equal to 4 sigma(Fo)]. A very short intramolecular hydrogen-bonding interaction is observed between the hydroxyl group and N9 of the vindoline portion of the molecule. The relevant parameters are: O3--H3O...N9, O...N 2 x 598 (4), H...N 1 x 68 (5) A, O--H...N 164 (5) degrees. Molecules related by the 2(1) screw operation are hydrogen bonded into columns parallel to b.(ABSTRACT TRUNCATED AT 250 WORDS)
Lynch
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Department of Chemistry and Biochemistry, University of Texas, Austin 78712.
Stamford
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A
Magnus
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Davis
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D002227:Carbazoles / Q000737:chemistry*; D003460:Crystallization; D007211:Indoles / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D014961:X-Ray Diffraction
D002227:Carbazoles; D007211:Indoles