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Crystal structure of 6,6'-dimethyl-2H,2'H-3,4'-bichromene-2,2'-dione.

Pujar KK, Kulkarni MV, Anil Kumar GN - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title compound, C20H14O4, the dihedral angle between the two coumarin ring systems is 52.37 (19)°, showing a gauche arrangement across the C-C bond which links the two units.The carbonyl groups of the two coumarin units adopt an s-trans arrangement.In the crystal, pairs of C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.631 (2) Å] connect the mol-ecules into inversion dimers.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Karnatak University, Dharwad 580 010, India.

ABSTRACT
In the title compound, C20H14O4, the dihedral angle between the two coumarin ring systems is 52.37 (19)°, showing a gauche arrangement across the C-C bond which links the two units. The carbonyl groups of the two coumarin units adopt an s-trans arrangement. In the crystal, pairs of C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.631 (2) Å] connect the mol-ecules into inversion dimers.

No MeSH data available.


Related in: MedlinePlus

The mol­ecular structure of the title compound, showing the atom-labelling scheme and with displacement ellipsoids drawn at the 50% probability level.
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fig1: The mol­ecular structure of the title compound, showing the atom-labelling scheme and with displacement ellipsoids drawn at the 50% probability level.

Mentions: The mol­ecular structure of the title compound is shown in Fig. 1 ▶. The packing viewed along the b axis (Fig. 2 ▶) shows the existence of inter­molecular C—H⋯O hydrogen bonds between the carbonyl O4 of one coumarin moiety and the aromatic H8 of the second unit (Table 1 ▶), which has also been observed in a 3-5′ bicoumarin (Fun et al., 2009 ▶). The two coumarin rings exhibit an s-trans arrangement across the C4—C11 bond for the two double bonds viz. C3=C4 and C11=C12. The non-planar nature of the bi-heterocyclic system is revealed through the torsion angles C3—C4—C11—C12 [−52.37 (19)°] and C10—C4—C11—C19 [−59.32 (17)°], which almost corresponds to a gauche conformation.


Crystal structure of 6,6'-dimethyl-2H,2'H-3,4'-bichromene-2,2'-dione.

Pujar KK, Kulkarni MV, Anil Kumar GN - Acta Crystallogr Sect E Struct Rep Online (2014)

The mol­ecular structure of the title compound, showing the atom-labelling scheme and with displacement ellipsoids drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257244&req=5

fig1: The mol­ecular structure of the title compound, showing the atom-labelling scheme and with displacement ellipsoids drawn at the 50% probability level.
Mentions: The mol­ecular structure of the title compound is shown in Fig. 1 ▶. The packing viewed along the b axis (Fig. 2 ▶) shows the existence of inter­molecular C—H⋯O hydrogen bonds between the carbonyl O4 of one coumarin moiety and the aromatic H8 of the second unit (Table 1 ▶), which has also been observed in a 3-5′ bicoumarin (Fun et al., 2009 ▶). The two coumarin rings exhibit an s-trans arrangement across the C4—C11 bond for the two double bonds viz. C3=C4 and C11=C12. The non-planar nature of the bi-heterocyclic system is revealed through the torsion angles C3—C4—C11—C12 [−52.37 (19)°] and C10—C4—C11—C19 [−59.32 (17)°], which almost corresponds to a gauche conformation.

Bottom Line: In the title compound, C20H14O4, the dihedral angle between the two coumarin ring systems is 52.37 (19)°, showing a gauche arrangement across the C-C bond which links the two units.The carbonyl groups of the two coumarin units adopt an s-trans arrangement.In the crystal, pairs of C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.631 (2) Å] connect the mol-ecules into inversion dimers.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Karnatak University, Dharwad 580 010, India.

ABSTRACT
In the title compound, C20H14O4, the dihedral angle between the two coumarin ring systems is 52.37 (19)°, showing a gauche arrangement across the C-C bond which links the two units. The carbonyl groups of the two coumarin units adopt an s-trans arrangement. In the crystal, pairs of C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.631 (2) Å] connect the mol-ecules into inversion dimers.

No MeSH data available.


Related in: MedlinePlus