Crystal structure of 12-benzylsulfanyl-2,9-dibromo-6H-dibenzo[b,g][1,8]naphthyridin-11-one
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Abstract
The heterotetracene skeleton of the title molecule, C23H14Br2N2OS, is defined by linear annulation of four six-membered rings, including two N heteroatoms. This moiety is nearly planar (r.m.s. deviation = 0.055 Å), with a slight twist of 4.1 (2)° between the two halves of the aromatic system. The dihedral angle between the least-squares plane of the skeleton and the benzyl group is 24.5 (3)°; the C-S-C angle involving the benzylsulfanyl group is 99.2 (4)°. In the crystal, molecules are [pi]-stacked in an antiparallel fashion along [110], with a distance between the aromatic planes of 3.47 (2) Å. Intermolecular N-H...O hydrogen bonds form chains extending parallel to [001] and bridge the antiparallel interdigitated stacks of molecules.
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Acta crystallographica : Section E, Structure reports online, 71, 9, Wiley-Blackwell, Oxford, 2015, https://doi.org/10.1107/S2056989015014541