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3,3-Dimethyl-cis-9a,13a-diphenyl-2,3,9a,11,12,13a-hexa-hydro-1H-benzo[h][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-f]chromene.

ABSTRACT: In the title di-hydro-dioxin, C31H28O5, the dioxane ring has a chair conformation, whereas each of the pyran and dioxine rings has an envelope conformation with methyl-ene and quaternary C atoms, respectively, being the flap atoms. The phenyl rings are cis and form a dihedral angle of 82.11?(10)°. The molecular structure is stabilized by C-H?O contacts. In the crystal packing, supra-molecular layers parallel to (101) are sustained by C-H?? inter-actions.

SUBMITTER: Bernardes BO 

PROVIDER: S-EPMC3884479 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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3,3-Dimethyl-cis-9a,13a-diphenyl-2,3,9a,11,12,13a-hexa-hydro-1H-benzo[h][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-f]chromene.

Bernardes Bauer O BO   Ferreira Aurelio B Buarque AB   Wardell James L JL   Wardell Solange M S V SM   Netto-Ferreira José C JC   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20130831 Pt 9

In the title di-hydro-dioxin, C31H28O5, the dioxane ring has a chair conformation, whereas each of the pyran and dioxine rings has an envelope conformation with methyl-ene and quaternary C atoms, respectively, being the flap atoms. The phenyl rings are cis and form a dihedral angle of 82.11 (10)°. The molecular structure is stabilized by C-H⋯O contacts. In the crystal packing, supra-molecular layers parallel to (101) are sustained by C-H⋯π inter-actions. ...[more]

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