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Ethyl 4-(2-eth-oxy-2-oxoeth-yl)-3-oxo-4,13-di-aza-penta-cyclo-[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona-ene-12-carboxyl-ate.

ABSTRACT: In the title compound, C26H22N2O5, the system consisting of five fused rings, being essentially planar with an r.m.s. deviation from the least-squares plane of 0.049?(3)?Å, makes a dihedral angle of 58.72?(12)° with the plane of the ethyl carboxyl-ate group immediately attached to it, and a dihedral angle of 89.48?(14)° with the plane of the ethyl carboxyl-ate group attached via the -CH2- bridge. Bond lengths indicate ?-delocalization over the whole penta-cyclic system. The mol-ecular conformation is stabilized by a weak intra-molecular C-H?O hydrogen bond. In the crystal, mol-ecules form stacks along the b-axis direction, neighboring mol-ecules within each stack being related by inversion and the shortest distance between the centroids of the pyridine rings within the stack being 3.667?(2)?Å.

SUBMITTER: Meng QH 

PROVIDER: S-EPMC3770398 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Ethyl 4-(2-eth-oxy-2-oxoeth-yl)-3-oxo-4,13-di-aza-penta-cyclo-[11.8.0.0(2,11).0(5,10).0(14,19)]henicosa-1,5(10),6,8,11,14(19),15,17,20-nona-ene-12-carboxyl-ate.

Meng Qing-Hua QH   Wu Ya-Nan YN   Jiang Ke K   Liu Yun Y  

Acta crystallographica. Section E, Structure reports online 20130622 Pt 7

In the title compound, C26H22N2O5, the system consisting of five fused rings, being essentially planar with an r.m.s. deviation from the least-squares plane of 0.049 (3) Å, makes a dihedral angle of 58.72 (12)° with the plane of the ethyl carboxyl-ate group immediately attached to it, and a dihedral angle of 89.48 (14)° with the plane of the ethyl carboxyl-ate group attached via the -CH2- bridge. Bond lengths indicate π-delocalization over the whole penta-cyclic system. The mol-ecular conformati  ...[more]

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