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


ABSTRACT: 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 ?-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.

SUBMITTER: Resch S 

PROVIDER: S-EPMC4555377 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

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

Resch Sebastian S   Quell Thomas T   Schollmeyer Dieter D   Waldvogel Siegfried R SR  

Acta crystallographica. Section E, Crystallographic communications 20150822 Pt 9


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-st  ...[more]

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