Crystal structure of 12-benzyl-sulfanyl-2,9-di-bromo-6H-dibenzo[b,g][1,8]naphthyridin-11-one

The hetero-tetra-cene skeleton of the title mol-ecule, 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...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2015-09, Vol.71 (Pt 9), p.o675-o676
Main Authors: Resch, Sebastian, Quell, Thomas, Schollmeyer, Dieter, Waldvogel, Siegfried R
Format: Article
Language:English
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Summary:The hetero-tetra-cene skeleton of the title mol-ecule, 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 benzyl-sulfanyl group is 99.2 (4)°. In the crystal, mol-ecules are π-stacked in an anti-parallel fashion along [110], with a distance between the aromatic planes of 3.47 (2) Å. Inter-molecular N-H⋯O hydrogen bonds form chains extending parallel to [001] and bridge the anti-parallel inter-digitated stacks of mol-ecules.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989015014541