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Crystal structures and conformations of 5-benzyl-2-thiohydantoin and its 1-acetylated derivative
http://hdl.handle.net/2297/17192
http://hdl.handle.net/2297/1719292f0a523-3b55-4850-bb23-92ae07883590
名前 / ファイル | ライセンス | アクション |
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TE-PR-KUNIMOTO-K-73.pdf (802.3 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2017-10-03 | |||||
タイトル | ||||||
タイトル | Crystal structures and conformations of 5-benzyl-2-thiohydantoin and its 1-acetylated derivative | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | journal article | |||||
著者 |
Kunimoto, Ko-Ki
× Kunimoto, Ko-Ki× Ichitani, Masaki× Ogawa, Toshikazu× Kitoh, Soh-ichi× Kuwae, Akio× Hanai, Kazuhiko |
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提供者所属 | ||||||
内容記述タイプ | Other | |||||
内容記述 | 金沢大学理工研究域物質化学系 | |||||
書誌情報 |
Spectroscopy Letters 巻 42, 号 2, p. 73-80, 発行日 2009-03-01 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0038-7010 | |||||
NCID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA00847833 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1080/00387010802428575 | |||||
出版者 | ||||||
出版者 | Taylor & Francis | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The crystal structures of 5-benzyl-2-thiohydantoin (5-BTH) and 1-acetyl-5-benzyl-2-thiohydantoin (1-Ac-5-BTH) have been determined by X-ray diffraction. In the 5-BTH crystals, the enantiomeric (R)- and (S)-5-BTH molecules are connected to form cyclic dimers via the hydrogen bonds of the thioamide and the amide moieties. On the other hand, the intermolecular hydrogen bonds in 1-Ac-5-BTH crystals form an infinite chain. These differences in the hydrogen bond pattern are also discussed in the IR and Raman spectra. The ab initio molecular orbital calculations (Gaussian 03) with 6-31G(d,p) basis set were carried out for 5-BTH and 1-Ac-5-BTH to get the preferred conformation. Copyright © Taylor & Francis Group, LLC.全文公開201003 | |||||
著者版フラグ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa |