title: 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 π-π inter-actions between pyrazole rings [centroid-centroid distance = 3.801 (1) Å].
authors.affiliation: Department of Organic Chemistry, University of Madras, Maraimalai Campus, Chennai 600 025, India.
authors.forename: V
authors.initials: V
authors.lastname: Vinayagam
authors.affiliation: Department of Organic Chemistry, University of Madras, Maraimalai Campus, Chennai 600 025, India ; Department of Chemistry, Pondicherry University, Puducherry 605 014, India.
authors.forename: M
authors.initials: M
authors.lastname: Bakthadoss
authors.affiliation: Department of Physics, Thanthai Periyar Government Institute of Technology, Vellore 632 002, India.
authors.forename: S
authors.initials: S
authors.lastname: Murugavel
authors.affiliation: Department of Physics, Bharathidasan Engineering College, Nattrampalli, Vellore 635 854, India.
authors.forename: N
authors.initials: N
authors.lastname: Manikandan
keywords: chromene; conformation; crystal packing; crystal structure