Methyl 2-[(2-chloro-quinolin-3-yl)(hy-droxy)meth-yl]acrylate.

ABSTRACT: There are two independent mol-ecules (A and B) in the asymmetric unit of the title compound, C14H12ClNO3. The mean planes of the methyl ester unit (Cmeth-yl-O-C=O; r.m.s. deviation = 0.051?Å for mol-ecule A and 0.016?Å for mol-ecule B) and the chloro-quilonine ring system (r.m.s. deviation = 0.023?Å for mol-ecule A and 0.014?Å for mol-ecule B) form dihedral angles of 63.5?(1)° in mol-ecule A and 78.1?(1)° in mol-ecule B. The main difference between the two independent mol-ecules is reflected in the (H)O-C-C=C(H2) torsion angle which is -109.7?(2)° in mol-ecule A and 10.6?(2)° in mol-ecule B. An intra-molecular O-H?O hydrogen bond is observed in mol-ecule A. In the crystal, mol-ecules 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 mol-ecules into chains along [100].

SUBMITTER: Anuradha T 

PROVIDER: S-EPMC3685122 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature