Cargando…
Methyl 2-[(2-chloroquinolin-3-yl)(hydroxy)methyl]acrylate
There are two independent molecules (A and B) in the asymmetric unit of the title compound, C(14)H(12)ClNO(3). The mean planes of the methyl ester unit (C(methyl)—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 =...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685122/ https://www.ncbi.nlm.nih.gov/pubmed/23795141 http://dx.doi.org/10.1107/S1600536813014050 |
Sumario: | There are two independent molecules (A and B) in the asymmetric unit of the title compound, C(14)H(12)ClNO(3). The mean planes of the methyl ester unit (C(methyl)—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(H(2)) 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]. |
---|