Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)


organic compounds



lh5607 scheme

Acta Cryst. (2013). E69, o990    [ doi:10.1107/S1600536813014050 ]

Methyl 2-[(2-chloroquinolin-3-yl)(hydroxy)methyl]acrylate

T. Anuradha, J. Srinivasan, P. R. Seshadri and M. Bakthadoss

Abstract: There are two independent molecules (A and B) in the asymmetric unit of the title compound, C14H12ClNO3. The mean planes of the methyl ester unit (Cmethyl-O-C=O; r.m.s. deviation = 0.051 Å for molecule A and 0.016 Å for molecule B) and the chloroquilonine ring system (r.m.s. deviation = 0.023 Å for molecule A and 0.014 Å for molecule B) form dihedral angles of 63.5 (1)° in molecule A and 78.1 (1)° in molecule B. The main difference between the two independent molecules is reflected in the (H)O-C-C=C(H2) torsion angle which is -109.7 (2)° in molecule A and 10.6 (2)° in molecule B. An intramolecular O-H...O hydrogen bond is observed in molecule A. In the crystal, molecules A and B are linked into pairs via bifurcated O-H...(N,Cl) hydrogen bonds and a weak C-H...O hydrogen bond links pairs of molecules into chains along [100].


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