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.
Acta Crystallogr E Crystallogr Commun
; 71(Pt 6): o395-6, 2015 Jun 01.
Article
em En
| MEDLINE
| ID: mdl-26090185
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 0.237â
(1)â
Å from the mean plane of the other four atoms (r.m.s. deviation = 0.007â
Å). The dihedral angle between the fused ring system (all atoms; r.m.s. deviation = 0.057â
Å) and the pendant trimeth-oxy benzene ring is 66.65â
(3)°. The C atoms of the meta-meth-oxy groups lie close to the plane of the benzene ring [deviations = 0.052â
(1) and -0.083â
(1)â
Å], whereas the C atom of the para-meth-oxy group is significantly displaced [deviation = -1.289â
(1)â
Å]. In the crystal, carb-oxy-lic acid inversion dimers generate R 2 (2)(8) loops. The dimers are connected by N-Hâ¯O hydrogen bonds, forming [011] chains. A C-Hâ¯O inter-action is also observed.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr E Crystallogr Commun
Ano de publicação:
2015
Tipo de documento:
Article
País de afiliação:
Brasil
País de publicação:
Reino Unido