The Crystal Structure of <I>dl</I>-1,2,3,4,5,6-Hexahydro-6,11,12,12-tetramethyl-2,6-methano-3,11-propano-3-benzazocine Hydrochloride Monohydrate

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概要

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• The structure of the title crystal (C<SUB>19</SUB>H<SUB>27</SUB>N·HCl·H<SUB>2</SUB>O) has been determined by X-ray diffraction method. The racemate crystallizes in monoclinic, space group P2<SUB>1</SUB>/c with <I>a</I>=14.30, <I>b</I>=15.74, <I>c</I>=7.79Å, β=98°58′ and <I>Z</I>=4. The reflection intensities were measured visually from equi-inclination integrating Weissenberg photographs taken with Cu<I>Kx</I> radiation. The structure was solved by the direct method of phase determination. The final <I>R</I> factor was 0.113. The molecules are linked in endless chains along c-axis by N<SUP>+</SUP>···Cl<SUP>−</SUP> and Cl<SUP>−</SUP>···H<SUB>2</SUB>O···Cl<SUP>−</SUP> hydrogen bonds. Two piperidine rings in the molecule have the chair conformation. This product which shows analgesic activity has a new molecular structure having a four-ring system, part of which is a benzomorphan nucleus.

• 公益社団法人 日本化学会の論文

著者

• Yamamoto Hisao

  Takarazuka Research Laboratories, Sumitomo Chemical Co., Ltd.

• Yamamoto Hisao

  Takarazuka Research Laboratories, Sumitomo Chemical Co.

• Inaba Shigeho

  Takarazuka Research Laboratories, Sumitomo Chemical Co.

• Kimura Michio

  Takarazuka Research Laboratories, Sumitomo Chemical Co., Ltd.

• Nakajima Takesi

  Takarazuka Research Laboratories, Sumitomo Chemical Co., Ltd.

関連論文

• Nuclear Magnetic Resonance Studies of Bicyclic Thiophene Derivatives. I. Ring Current Effects of the Benzene Ring on the Hα and Hβ Signals of the Thiophene Ring in Benzoylthiophene, Thienopyrimidine and Thienodiazepine Derivatives
• The Crystal Structure of dl-1,2,3,4,5,6-Hexahydro-6,11,12,12-tetramethyl-2,6-methano-3,11-propano-3-benzazocine Hydrochloride Monohydrate

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