Crystal structure of methyl 6-meth-oxy-11-(4-meth-oxy-phen-yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di-aza-tetra-cyclo-[8.7.0.0(2,7).0(13,17)]hepta-deca-2(7),3,5,13(17),15-penta-ene-10-carboxyl-ate.

ABSTRACT: In the title compound, C30H28N2O6, the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxyl-ate group as the flap. The pyrazole ring [maximum deviation = 0.002?(2)?Å] forms a dihedral angle of 13.2?(1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4?(1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7?(1)°. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, C-H?O inter-actions generate supra-molecular chains propagating in [100] and these are connected into double layers that stack along the c-axis direction by weak ?-? inter-actions between pyrazole rings [centroid-centroid distance = 3.801?(1)?Å].

SUBMITTER: Vinayagam V 

PROVIDER: S-EPMC4186142 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature