Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 11 (November 2012)

organic compounds

 

2-Cyano-3-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate

H. Yennawar, G. He, C. Rumble and M. Maroncelli

Abstract: In dimethyl sulfoxide solvated 9-(2-carboxy-2-cyanovinyl)julolidine, C₁₆H₁₆N₂O₂·C₂H₆OS, the essentially planar -CH=(CN)-CO₂H substituent (r.m.s. deviation = 0.014 Å) is almost coplanar with respect to the benzene ring, the dihedral angle between the two planes being 0.48 (2)°. The conformations of the fused, non-aromatic rings were found to be half-chair. In the crystal, the acid molecule forms a hydrogen bond to the O atom of the solvent molecule. The acid molecule is disordered over two positions with respect to the methylene C atoms in a 1:1 ratio. The crystal studied was found to be a racemic twin.

	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536812043383/ng5301sup0.html ] Supplementary materials
	Chemical Markup Language (CML) file (6.0 kbytes) [ doi:10.1107/S1600536812043383/ng5301Isup3.cml ] Supplementary material

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