X-ray Mapping in Heterocyclic Design: VIII. Synthesis and X-ray Diffraction Study of Dimethyl 3-(p-Chlorobenzoyl)-5-Chloroindolizine-1,2-Dicarboxylate and the Product of Its Cyclization 1,2-Bis(carbomethoxy)-6-Chloro-3H-Isoquinolino[1,2,3-d,c]indoliz

摘要

Dimethyl 3-(p-chlorobenzolyl)-5-chloroindolizine-1,2-dicarboxylate. C_(19)H_(13)Cl_2NO_5, (2) and the product of its cyclization 1,2-bis(carbomethoxy)-6-chloro-3H-isoquinolino[1,2,3-d,clindolizine-3-one, C_(19)H_(12)ClNO_5, (3) are synthesized, and their molecular and crystal structures are determined by the single-crystal X-ray diffraction technique. Crystals 2 are monoclinc, a = 9.627(3) A, b = 6.646(2) A, c = 28.500(9) A, β = 98.72(2)°, Z = 4, and space group P2_(1/c). Crystals 3 are monoclinic, a = 7.048(4) A, b = 10.582(4) A, c = 21.760(7) A, β = 97.23(4)°, Z = 4, and space group P2_(1/c). The structures are solved by the direct method and refined in the anisotropic approximation by the full-matrix least-squares procedure to R = 0.0504 and 0.0510 for 2 and 3, respectively. In both structures, the intramolecular and intermolecular contacts involving the C, H, and O atoms are observed.