| Literature DB >> 26090185 |
Daniara Fernandes1, Deborah de Alencar Simoni2, Manoel T Rodrigues1, Marilia S Santos1, Fernando Coelho1.
Abstract
In the title compound, C21H21NO5, obtained from a Morita-Baylis-Hillman adduct, the hydrogenated five-membered ring adopts a shallow envelope conformation, with the C atom bearing the carb-oxy-lic acid substituent deviating by 0.237 (1) Å from the mean plane of the other four atoms (r.m.s. deviation = 0.007 Å). The dihedral angle between the fused ring system (all atoms; r.m.s. deviation = 0.057 Å) and the pendant trimeth-oxy benzene ring is 66.65 (3)°. The C atoms of the meta-meth-oxy groups lie close to the plane of the benzene ring [deviations = 0.052 (1) and -0.083 (1) Å], whereas the C atom of the para-meth-oxy group is significantly displaced [deviation = -1.289 (1) Å]. In the crystal, carb-oxy-lic acid inversion dimers generate R 2 (2)(8) loops. The dimers are connected by N-H⋯O hydrogen bonds, forming [011] chains. A C-H⋯O inter-action is also observed.Entities:
Keywords: Morita–Baylis–Hillman adduct; crystal strycture; hydrogen bonding; indole skeleton
Year: 2015 PMID: 26090185 PMCID: PMC4459319 DOI: 10.1107/S2056989015008786
Source DB: PubMed Journal: Acta Crystallogr E Crystallogr Commun