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(9S,13R,14S)-7,8-Didehydro-4-(4-fluoro-benz-yloxy)-3,7-dimeth-oxy-17-methyl-morphinan-6-one sesquihydrate.

ABSTRACT: In the title sinomenine derivative, C(26)H(28)FNO(4)·1.5H(2)O, the dihedral angle between the two aromatic rings is 55.32?(6)°. The N-containing ring has an approximate chair conformation, while other two rings have approximate envelope and half-chair conformations. One water mol-ecule is located on a twofold symmetry axis. In the crystal, the water mol-ecules form O-H?O and O-H?N hydrogen bonds, bridging symmetry-related main mol-ecules.

SUBMITTER: Zheng XL

PROVIDER: S-EPMC3213444 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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(9S,13R,14S)-7,8-Didehydro-4-(4-fluoro-benz-yloxy)-3,7-dimeth-oxy-17-methyl-morphinan-6-one sesquihydrate.

Zheng Xing-Liang XL Jiang Ning-Fei NF Luo Dan D Gao Hong-Sheng HS Ding Ai-Shun AS

Acta crystallographica. Section E, Structure reports online 20110709 Pt 8

In the title sinomenine derivative, C(26)H(28)FNO(4)·1.5H(2)O, the dihedral angle between the two aromatic rings is 55.32 (6)°. The N-containing ring has an approximate chair conformation, while other two rings have approximate envelope and half-chair conformations. One water mol-ecule is located on a twofold symmetry axis. In the crystal, the water mol-ecules form O-H⋯O and O-H⋯N hydrogen bonds, bridging symmetry-related main mol-ecules. ...[more]

PMID: 22091023

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