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

Resch S, Quell T, Schollmeyer D, Waldvogel SR - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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)°.Inter-molecular N-H⋯O hydrogen bonds form chains extending parallel to [001] and bridge the anti-parallel inter-digitated stacks of mol-ecules.

View Article: PubMed Central - HTML - PubMed

Affiliation: Johannes Gutenberg-University Mainz, Duesbergweg 10-14, 55099 Mainz, Germany.

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 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.

No MeSH data available.


The crystal structure of the title compound in a view along [010]. N—H···O hydrogen bonds are shown as dashed lines.
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Fap2: The crystal structure of the title compound in a view along [010]. N—H···O hydrogen bonds are shown as dashed lines.


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

Resch S, Quell T, Schollmeyer D, Waldvogel SR - Acta Crystallogr E Crystallogr Commun (2015)

The crystal structure of the title compound in a view along [010]. N—H···O hydrogen bonds are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4555377&req=5

Fap2: The crystal structure of the title compound in a view along [010]. N—H···O hydrogen bonds are shown as dashed lines.
Bottom Line: 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)°.Inter-molecular N-H⋯O hydrogen bonds form chains extending parallel to [001] and bridge the anti-parallel inter-digitated stacks of mol-ecules.

View Article: PubMed Central - HTML - PubMed

Affiliation: Johannes Gutenberg-University Mainz, Duesbergweg 10-14, 55099 Mainz, Germany.

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 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.

No MeSH data available.