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(E)-3-(8-Benz-yloxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-hy-droxy-4,6-bis-(meth-oxy-meth-oxy)phen-yl]prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C(28)H(28)O(9), the phenol and the benzene rings adjacent to the ?,?-unsaturated ketone unit are inclined at 9.15?(13)° to each other. The terminal phenyl ring is oriented with respect to the phenol ring at a dihedral angle of 85.88?(13)°. In the crystal, the methyl-ene C atoms of the dihydro-dioxine ring are disordered over two sites with an occupancy ratio of 0.463?(18):0.537?(18), and both disordered components of the dihydro-dioxine ring adopt twisted-chair conformations. An intra-molecular O-H?O hydrogen bond and weak inter-molecular C-H?O hydrogen bonds are present in the crystal structure.

SUBMITTER: Zhang Y 

PROVIDER: S-EPMC3100013 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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(E)-3-(8-Benz-yloxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-hy-droxy-4,6-bis-(meth-oxy-meth-oxy)phen-yl]prop-2-en-1-one.

Zhang Yu Y   Zhang Yi-Nan YN   Liu Ming-Ming MM   Ryu Kum-Chol KC   Ye De-Yong DY  

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

In the title mol-ecule, C(28)H(28)O(9), the phenol and the benzene rings adjacent to the α,β-unsaturated ketone unit are inclined at 9.15 (13)° to each other. The terminal phenyl ring is oriented with respect to the phenol ring at a dihedral angle of 85.88 (13)°. In the crystal, the methyl-ene C atoms of the dihydro-dioxine ring are disordered over two sites with an occupancy ratio of 0.463 (18):0.537 (18), and both disordered components of the dihydro-dioxine ring adopt twisted-chair conformati  ...[more]

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