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

Journal Article · Wed Oct 24 00:00:00 EDT 2012 · Acta Crystallographica. Section E

DOI:https://doi.org/10.1107/S1600536812043383· OSTI ID:1629951

Yennawar, Hemant ^[1]; He, Gang ^[2]; Rumble, Christopher ^[2]; Maroncelli, Mark ^[2]

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1. Pennsylvania State Univ., University Park, PA (United States). Dept. of Chemistry; DOE/OSTI
2. Pennsylvania State Univ., University Park, PA (United States). Dept. of Chemistry

In dimethyl sulfoxide solvated 9-(2-carboxy-2-cyanovinyl)- julolidine, C16H16N2O2C2H6OS, the essentially planar – CH (CN)–CO2H substituent (r.m.s. deviation = 0.014 A° ) 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 halfchair. 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.

• Research Organization: Chicago Operations Office, Argonne, IL (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
• OSTI ID: 1629951
• Journal Information: Acta Crystallographica. Section E, Journal Name: Acta Crystallographica. Section E Journal Issue: 11 Vol. 68; ISSN 1600-5368; ISSN ACSEBH
• Publisher: International Union of Crystallography
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY