Crystal and Molecular Structure of ω-Amino Acids, ω-Amino Sulfonic Acids and Their Derivatives. IV. The Crystal and Molecular Structure of γ-Aminobutyric Acid (GABA), a Nervous Inhibitory Transmitter

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概要

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• The structure of γ-aminobutyric acid (GABA), C<SUB>4</SUB>H<SUB>9</SUB>NO<SUB>2</SUB>, was determined by single-crystal X-ray diffraction analysis using the data collected on a four-circle diffractometer. The compound was crystallized from an aqueous ethanol solution as needles of the monoclinic space group P2<SUB>1</SUB>/c with four molecules in the following unit cell; <I>a</I>=7.193, <I>b</I>=10.120, <I>c</I>=8.260 Å and β=111.05°. The structure was solved directly by a symbolic addition method and refined by a least-squares procedure. The final R is 9.3%. The molecular geometry is not a planar <I>trans</I>-zigzag configuration as found in γ-guanidinobutyric acid hydrochloride or homotaurine, but a gauche configuration with respect to C<SUB>α</SUB>–C<SUB>β</SUB> bond. The expected zwitterionic structure is evident from the locations of the hydrogen atoms in a difference Fourier map, each molecule being connected with three N–H···O hydrogen bonds to form a three-dimensional network.

• 公益社団法人 日本化学会の論文

著者

• Fujiwara Takaji

  Faculty Of Pharmaceutical Sciences Of Osaka University

• TOMITA Ken-ichi

  Faculty of Pharmaceutical Sciences of Osaka University

• Higashi Hideko

  Faculty of Pharmaceutical Sciences, Osaka University

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