Crystal and Molecular Structure of ω-Amino Acids, ω-Amino Sulfonic Acids and Their Derivatives. II. The Crystal and Molecular Structure of α-Form of 3-Aminopropane Sulfonic Acid, Homotaurine
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概要
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From ethanol aqueous solution, two forms of crystals of 3-aminopropane sulfonic acid (homotaurine) have been obtained in different crystal systems. The α-form is orthorhombic, space group <I>Pmn</I>2<SUB>1</SUB>, with two molecules in a unit cell of the dimensions; <I>a</I>=7.059, <I>b</I>=5.492 and <I>c</I>=7.428 Å. The X-ray structure analysis was carried out by the application of usual heavy atom method and refined by three dimensional least-squares procedure. The final <I>R</I>-value is 0.059. In the crystalline state, homotaurine molecule has the zwitterionic structure, NH<SUB>3</SUB><SUP>+</SUP>–CH<SUB>2</SUB>–CH<SUB>2</SUB>–CH<SUB>2</SUB>–SO<SUB>3</SUB><SUP>−</SUP>, with <I>trans-zigzag</I> skeletal configuration, and non-hydrogen atoms except two oxygen atoms lie exactly on a mirror plane. Each molecule in the crystal is connected by three dimensional network of three NH···O hydrogen bonds.
- 公益社団法人 日本化学会の論文
著者
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Fujiwara Takaji
Faculty Of Pharmaceutical Sciences Of Osaka University
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TOMITA Ken-ichi
Faculty of Pharmaceutical Sciences of Osaka University
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Ueoka Sumiko
Faculty of Pharmaceutical Sciences, Osaka University
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Fujiwara Takaji
Faculty of Pharmaceutical Sciences, Osaka University
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