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Crystal structure of De-hydro-dieugenol B methyl ether, a neolignan from Nectandra leucantha Nees and Mart (Lauraceae).

ABSTRACT: In the title compound, C21H24O4 (systematic name: 4,5'-diallyl-2,2',3'-tri-meth-oxy-diphenyl ether), the aromatic rings lie almost perpendicular to each other [dihedral angle = 85.96?(2)°]. The allyl side chains show similar configurations, with Car-C-C=C (ar = aromatic) torsion angles of -123.62?(12) and -115.54?(12)°. A possible weak intra-molecular C-H?O inter-action is observed. In the crystal, mol-ecules are connected by two C-H?O hydrogen bonds, forming undulating layers lying parallel to the bc plane. Weak C-H?? and ?-? stacking inter-actions also occur.

SUBMITTER: Grecco SS

PROVIDER: S-EPMC5946980 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of De-hydro-dieugenol B methyl ether, a neolignan from Nectandra leucantha Nees and Mart (Lauraceae).

Grecco Simone S SS Jerz Gerold G Lago Joao Henrique G JHG Jones Peter G PG

Acta crystallographica. Section E, Crystallographic communications 20180309 Pt 4

In the title compound, C21H24O4 (systematic name: 4,5'-diallyl-2,2',3'-tri-meth-oxy-diphenyl ether), the aromatic rings lie almost perpendicular to each other [dihedral angle = 85.96 (2)°]. The allyl side chains show similar configurations, with Car-C-C=C (ar = aromatic) torsion angles of -123.62 (12) and -115.54 (12)°. A possible weak intra-molecular C-H⋯O inter-action is observed. In the crystal, mol-ecules are connected by two C-H⋯O hydrogen bonds, ...[more]

PMID: 29765758

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