6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) fromMesua elegans

Gomathi Chan,Seik Weng Ng,Edward R T Tiekink,Khalijah Awang,Nor Hadiani Ismail

doi:10.1107/s1600536812008628

Abstract

The title co-crystal, C30H34O5·C30H34O5, comprises a 1:1 mixture of two mostly superimposed molecules with the same chemical formula that differ in the nature of the substituent (2-methylbutanoyl or 3-methylbutanoyl) bound at the exocyclic ketone. The lactone ring is close to planar (r.m.s. deviation = 0.058 Å) and the phenyl ring is twisted out of this plane [dihedral angle = 60.08 (9)°]. The geranyl substituent is almost normal to benzene ring to which it is connected [C—C—Car—Car (ar = aromatic) torsion angle = −87.8 (2)°]. Intramolecular O—H⋯O and O—H⋯π interactions are formed. In the crystal, supramolecular chains are formed along the a axis owing to C—H⋯O contacts, with the lactone carbonyl atom accepting two such bonds.

Highlights

The title co-crystal, C30H34O5C30H34O5, comprises a 1:1 mixture of two mostly superimposed molecules with the same chemical formula that differ in the nature of the substituent
Supramolecular chains are formed along the a axis owing to C—H O contacts, with the lactone carbonyl atom accepting two such bonds
H atoms treated by a mixture of independent and constrained refinement max = 0.57 e Å3

Summary

Structure Reports

The title co-crystal, C30H34O5C30H34O5, comprises a 1:1 mixture of two mostly superimposed molecules with the same chemical formula that differ in the nature of the substituent (2-methylbutanoyl or 3-methylbutanoyl) bound at the exocyclic ketone. The lactone ring is close to planar (r.m.s. deviation = 0.058 Å) and the phenyl ring is twisted out of this plane [dihedral angle = 60.08 (9) ]. The geranyl substituent is almost normal to benzene ring to which it is connected [C—. C—Car—Car (ar = aromatic) torsion angle = 87.8 (2) ]. Intramolecular O—H O and O—H interactions are formed. Supramolecular chains are formed along the a axis owing to C—H O contacts, with the lactone carbonyl atom accepting two such bonds

Agilent SuperNova Dual diffractometer with an Atlas detector

Mirror monochromator