The crystal and molecular structure of N-(thioacetyl)tryptamine. A radioprotective indole compound.

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概要

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• The crystal structure of N-(thioacetyl)tryptamine, a radioprotective agent, has been determined by the X-ray method. The crystal is monoclinic, space, group P2<SUB>1</SUB>/c with the unit cell dimensions: <I>a</I>=23.761(5), <I>b</I>=5.553(1), <I>c</I>=8.889(2) Å, and β=94.04(4)°. The structure was solved by the direct method and succesive Fourier syntheses, and refined by the block-diagonal least-squares method to give a final <I>R</I>-value of 0.072. In the crystal, the molecules are held together with van der Waals contacts between the nonpolar groups of adjacent molecules, and an inter-molecular hydrogen bond between the sulfur and nitrogen atoms of the side chain (N–H···S=3.322 Å). The folded conformation observed in this compound could be related to the protection of DNA against irradiation.

• 公益社団法人 日本化学会の論文

著者

• Shinoda Masato

  Hoshi College Of Pharmacy

• INOUE Masatoshi

  Osaka Gastric Cancer Chemotherapy Group, Second Department of Surgery, Osaka University Medical Scho

• Ishida Toshimasa

  Osaka Univ. Of Pharmaceutical Sciences

• TOMITA Ken-ichi

  Faculty of Pharmaceutical Sciences of Osaka University

• Shimizu Satomi

  Osaka College of Pharmacy

• Ishida Toshimasa

  Osaka College of Pharmacy

• Inoue Masatoshi

  Osaka College of Pharmacy

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