TY - JOUR
T1 - 2-Cyano-3-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate
AU - Yennawar, Hemant
AU - He, Gang
AU - Rumble, Christopher
AU - Maroncelli, Mark
PY - 2012/11
Y1 - 2012/11
N2 - In dimethyl sulfoxide solvated 9-(2-carboxy-2-cyanovinyl)julolidine, C 16H16N2O2·C2H 6OS, the essentially planar -CH=(CN)-CO2H substituent (r.m.s. deviation = 0.014Å) 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.
AB - In dimethyl sulfoxide solvated 9-(2-carboxy-2-cyanovinyl)julolidine, C 16H16N2O2·C2H 6OS, the essentially planar -CH=(CN)-CO2H substituent (r.m.s. deviation = 0.014Å) 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.
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U2 - 10.1107/S1600536812043383
DO - 10.1107/S1600536812043383
M3 - Article
C2 - 23284513
AN - SCOPUS:84868554395
SN - 1600-5368
VL - 68
SP - o3204-o3205
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 11
ER -