Crystal structure of methyl 2-(2H-1,3-benzodioxol-5-yl)-7,9-di-bromo-8-oxo-1-oxa-spiro-[4.5]deca-2,6,9-triene-3-car-boxyl-ate.
Acta Crystallogr Sect E Struct Rep Online
; 70(Pt 12): o1275-6, 2014 Dec 01.
Article
em En
| MEDLINE
| ID: mdl-25553042
The title compound, C18H12Br2O6, was synthesized from Morita-Baylis-Hillman adducts. It incorporates the bromin-ated spiro-hexa-dienone moiety typically exhibited by compounds of this class that exhibit biological activity. Both the brominated cyclo-hexa-dienone and the central five-membered rings are nearly planar (r.m.s. deviations of 0.044 and 0.016â
Å, respectively), being almost perpendicularly oriented [inter-planar angle = 89.47â
(5)°]. With respect to the central five-membered ring, the brominated cyclo-hexa-dienone ring, the benzodioxol ring and the carboxyl-ate fragment make C-O-C-C, O-C-C-C and C-C-C-O dihedral angles of -122.11â
(8), -27.20â
(11) and -8.40â
(12)°, respectively. An intra-molecular C-Hâ¯O hydrogen bond occurs. In the crystal, mol-ecules are linked by non-classical C-Hâ¯O and C-Hâ¯Br hydrogen bonds resulting in a molecular packing in which the brominated rings are in a head-to-head orientation, forming well marked planes parallel to the b axis.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr Sect E Struct Rep Online
Ano de publicação:
2014
Tipo de documento:
Article
País de afiliação:
Brasil
País de publicação:
Estados Unidos