Crystal structure of 9-methacryloylanthracene

Aditya Agrahari, Patrick O. Wagers, Steven M. Schildcrout, John Masnovi*, Wiley J. Youngs, W. T A Harrison (Editor)

*Corresponding author for this work

Research output: Contribution to journalArticle

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Abstract

In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030 (16) Å out of the anthryl-ring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is 88.30 (3)° and the stereochemistry about the Csp2 - Csp2 bond in the side chain is transoid. In the crystal, the end rings of the anthryl units in adjacent molecules associate in parallel-planar orientations [shortest centroid-centroid distance = 3.6320 (7) Å]. A weak hydrogen bond is observed between an aromatic H atom and the O atom of a molecule displaced by translation in the a-axis direction, forming sheets of parallel-planar anthryl groups packing in this direction.

Original languageEnglish
Pages (from-to)357-359
Number of pages3
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number4
Early online date11 Mar 2015
DOIs
Publication statusPublished - 1 Apr 2015

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Crystal structure
Atoms
centroids
crystal structure
atoms
Stereochemistry
Molecules
rings
stereochemistry
Dihedral angle
dihedral angle
molecules
Hydrogen bonds
hydrogen bonds
Crystals
crystals
Direction compound

Keywords

  • Acetylanthracene
  • Aldol
  • Crystal structure
  • Methylation
  • Stereochemistry

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

Crystal structure of 9-methacryloylanthracene. / Agrahari, Aditya; Wagers, Patrick O.; Schildcrout, Steven M.; Masnovi, John; Youngs, Wiley J.; Harrison, W. T A (Editor).

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 4, 01.04.2015, p. 357-359.

Research output: Contribution to journalArticle

Agrahari, Aditya ; Wagers, Patrick O. ; Schildcrout, Steven M. ; Masnovi, John ; Youngs, Wiley J. ; Harrison, W. T A (Editor). / Crystal structure of 9-methacryloylanthracene. In: Acta Crystallographica Section E: Structure Reports Online. 2015 ; Vol. 71, No. 4. pp. 357-359.
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abstract = "In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030 (16) {\AA} out of the anthryl-ring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is 88.30 (3)° and the stereochemistry about the Csp2 - Csp2 bond in the side chain is transoid. In the crystal, the end rings of the anthryl units in adjacent molecules associate in parallel-planar orientations [shortest centroid-centroid distance = 3.6320 (7) {\AA}]. A weak hydrogen bond is observed between an aromatic H atom and the O atom of a molecule displaced by translation in the a-axis direction, forming sheets of parallel-planar anthryl groups packing in this direction.",
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N2 - In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030 (16) Å out of the anthryl-ring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is 88.30 (3)° and the stereochemistry about the Csp2 - Csp2 bond in the side chain is transoid. In the crystal, the end rings of the anthryl units in adjacent molecules associate in parallel-planar orientations [shortest centroid-centroid distance = 3.6320 (7) Å]. A weak hydrogen bond is observed between an aromatic H atom and the O atom of a molecule displaced by translation in the a-axis direction, forming sheets of parallel-planar anthryl groups packing in this direction.

AB - In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030 (16) Å out of the anthryl-ring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is 88.30 (3)° and the stereochemistry about the Csp2 - Csp2 bond in the side chain is transoid. In the crystal, the end rings of the anthryl units in adjacent molecules associate in parallel-planar orientations [shortest centroid-centroid distance = 3.6320 (7) Å]. A weak hydrogen bond is observed between an aromatic H atom and the O atom of a molecule displaced by translation in the a-axis direction, forming sheets of parallel-planar anthryl groups packing in this direction.

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