organic compounds
Open access
There are two independent molecules (A and B) in the asymmetric unit of the title compound C11H10BrClO2, which represents the Z isomer. The methylacrylate moieties are essentially planar, within 0.084 (2) and 0.027 (5) Å in molecules A and B, respectively. The benzene ring makes dihedral angles of 13.17 (7) and 27.89 (9)° with the methylacrylate moiety in molecules A and B, respectively. The methylbromide moiety is almost orthogonal to the benzene ring, making dihedral angles of 81.46 (16)° in molecule A and 79.61 (16)° in molecule B. The methylacrylate moiety exhibits an extended trans conformation in both molecules. In the crystal, pairs of C—HO hydrogen bonds result in the formation of quasi-centrosymmetric R22(14) AB dimers.
organic compounds
Open access
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—HO 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—HO hydrogen bond links pairs of molecules into chains along [100].