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3-Methyl-1-tosyl-1H-indole-2-carbaldehyde.

Pradeep P, Khorasani S, de Koning CB, Fernandes MA - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: The benzene ring of the tosyl group is almost perpedicular to the indole ring in both mol-ecules, with inter-planar angles of 82.60 (5)° and 81.82 (6)°.A π-π inter-action occurs between inversion-related indole rings with a centroid-centroid distance of 3.6774 (16) Å and an inter-planar angle of 1.53 (15)°.This inter-action leads to a stacking of mol-ecules along the a axis.

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Affiliation: Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, PO Wits 2050, Johannesburg, South Africa.

ABSTRACT
The title indole derivative, C(17)H(15)NO(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The benzene ring of the tosyl group is almost perpedicular to the indole ring in both mol-ecules, with inter-planar angles of 82.60 (5)° and 81.82 (6)°. The two mol-ecules are, as a consequence, able to form an almost centrosymmetric non-bonded dimer, in which the molecules are linked by pairs of C-H⋯π inter-actions. The crystal structure displays a three-dimensional network of C-H⋯O inter-actions. A π-π inter-action occurs between inversion-related indole rings with a centroid-centroid distance of 3.6774 (16) Å and an inter-planar angle of 1.53 (15)°. This inter-action leads to a stacking of mol-ecules along the a axis.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound, showing the atomic numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
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Fap1: The molecular structure of the title compound, showing the atomic numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.


3-Methyl-1-tosyl-1H-indole-2-carbaldehyde.

Pradeep P, Khorasani S, de Koning CB, Fernandes MA - Acta Crystallogr Sect E Struct Rep Online (2013)

The molecular structure of the title compound, showing the atomic numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569754&req=5

Fap1: The molecular structure of the title compound, showing the atomic numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: The benzene ring of the tosyl group is almost perpedicular to the indole ring in both mol-ecules, with inter-planar angles of 82.60 (5)° and 81.82 (6)°.A π-π inter-action occurs between inversion-related indole rings with a centroid-centroid distance of 3.6774 (16) Å and an inter-planar angle of 1.53 (15)°.This inter-action leads to a stacking of mol-ecules along the a axis.

View Article: PubMed Central - HTML - PubMed

Affiliation: Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, PO Wits 2050, Johannesburg, South Africa.

ABSTRACT
The title indole derivative, C(17)H(15)NO(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The benzene ring of the tosyl group is almost perpedicular to the indole ring in both mol-ecules, with inter-planar angles of 82.60 (5)° and 81.82 (6)°. The two mol-ecules are, as a consequence, able to form an almost centrosymmetric non-bonded dimer, in which the molecules are linked by pairs of C-H⋯π inter-actions. The crystal structure displays a three-dimensional network of C-H⋯O inter-actions. A π-π inter-action occurs between inversion-related indole rings with a centroid-centroid distance of 3.6774 (16) Å and an inter-planar angle of 1.53 (15)°. This inter-action leads to a stacking of mol-ecules along the a axis.

No MeSH data available.


Related in: MedlinePlus