Structure study on antitumor ellipticine homologue, 1,4-dihydro-4-oxo-2,5,11-trimethyl-6H-pyrido (3,2-b) carbazole by X-ray diffraction.

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Abstract
The synthesis of 1,4-dihydro-4-oxo-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazole was described and the lactam-lactim tauromerism was discussed. C18H16N2O crystallizes in space group P21/c with Dm = 1.30(2) Mg .cntdot. m-3 in acetonitrile with a = 16.179(4), b = 14.900(3), c = 12.702(3) A. .beta. = 112.28(2), V =2833.6 A3, Z = 8. The crystal structure was investigated by X-ray diffraction method with final R = 0.04 for 2355 independent reflections. In the two molecules, the lactam form was observed while the lactim for was found with many derivatives as well in solid state as in solution. The carbazole ring is planar while the 1,4-dihydro-4-oxo-pyridine deviates from planarity. The molecules have rather small overlapping and the molecular packing involves many hydrogen bonds.

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