Crystal structure of 3-(3,4,5-tri-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-cyclo-penta[b]indole-2-carb-oxy-lic acid.

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.

SUBMITTER: Fernandes D 

PROVIDER: S-EPMC4459319 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature