The Crystal Structure of Pyrazinic Acid
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概要
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The crystal structure of pyrazinic acid has been determined by X-ray diffraction method. The crystal is orthorhombic, space group Pna2<SUB>1</SUB>, <I>a</I>=11.352, <I>b</I>=7.363, <I>c</I>=6.454Å, and <I>Z</I>=4. The structure was solved by inspecting the sharpened Patterson map. The final <I>R</I> value is 6.4% for all observed reflections. The molecule does not take a zwitter ion, but a neutral form. The dimensions of the pyrazine ring are close to those of pyrazine. Each molecule is joined, through the O–H···N hydrogen bond with distance of 2.669 Å, to two neighboring molecules forming the chain. These chains are linked by the weak C–H···O hydrogen bond to form the sheet parallel to the (0 0 1) plane. This hydrogen bonding scheme is quite similar to that of nicotinic acid. The hydrogen bonding type found in nicotinic acid is considered energetically favored more than that found in picolinic acid.
- 公益社団法人 日本化学会の論文
著者
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Higuchi Taiichi
Department Of Chemistry Faculty Of Science Osaka City University
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Shimada Akira
Department of Chemistry Faculty of Science Osaka City University
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Takusagawa Fusao
Department of Chemistry, Faculty of Science, Osaka City University
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Sasada Yoshio
Laboratory of Chemistry for Natural Products, Faculty of Science, Tokyo Institute of Technology
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Tamura Chihiro
Central Research Laboratories, Sankyo Co., Ltd.
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Tamura Chihiro
Central Research Laboratories Sankyo Co., Ltd.
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