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Crystal structure of 3-[2-(4-methyl-phen-yl)ethyn-yl]-2H-chromen-2-one.

Caracelli I, Maganhi SH, Stefani HA, Gueogjian K, Tiekink ER - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl-benzene ring, forming a dihedral angle of 33.68 (4)°.In the crystal, supra-molecular zigzag chains along the c-axis direction are formed via weak C-H⋯O hydrogen bonds, and these are connected into double layers via weak C-H⋯π inter-actions; these stack along the a axis.

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Affiliation: Departmento de Física, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.

ABSTRACT
The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl-benzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supra-molecular zigzag chains along the c-axis direction are formed via weak C-H⋯O hydrogen bonds, and these are connected into double layers via weak C-H⋯π inter-actions; these stack along the a axis.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound showing the atom-labelling scheme and displacement ellipsoids at the 70% probability level.
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Fap1: The molecular structure of the title compound showing the atom-labelling scheme and displacement ellipsoids at the 70% probability level.


Crystal structure of 3-[2-(4-methyl-phen-yl)ethyn-yl]-2H-chromen-2-one.

Caracelli I, Maganhi SH, Stefani HA, Gueogjian K, Tiekink ER - Acta Crystallogr E Crystallogr Commun (2015)

The molecular structure of the title compound showing the atom-labelling scheme and displacement ellipsoids at the 70% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384545&req=5

Fap1: The molecular structure of the title compound showing the atom-labelling scheme and displacement ellipsoids at the 70% probability level.
Bottom Line: The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl-benzene ring, forming a dihedral angle of 33.68 (4)°.In the crystal, supra-molecular zigzag chains along the c-axis direction are formed via weak C-H⋯O hydrogen bonds, and these are connected into double layers via weak C-H⋯π inter-actions; these stack along the a axis.

View Article: PubMed Central - HTML - PubMed

Affiliation: Departmento de Física, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.

ABSTRACT
The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl-benzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supra-molecular zigzag chains along the c-axis direction are formed via weak C-H⋯O hydrogen bonds, and these are connected into double layers via weak C-H⋯π inter-actions; these stack along the a axis.

No MeSH data available.


Related in: MedlinePlus