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CSJ Journals

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1973, Vol.46, No.7

2199-2204
Open Access

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

Tomita Ken-ichi 1 , Higashi Hideko 1 , Fujiwara Takaji 1
1 Faculty of Pharmaceutical Sciences, Osaka University
https://doi.org/10.1246/bcsj.46.2199

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Abstract

The structure of γ-aminobutyric acid (GABA), C4H9NO2, 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 P21/c with four molecules in the following unit cell; a=7.193, b=10.120, c=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 trans-zigzag configuration as found in γ-guanidinobutyric acid hydrochloride or homotaurine, but a gauche configuration with respect to Cα–Cβ 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.

<< Previous Crystal and Molecular Structure of ω-Amino Acids, ω-Aminosulfonic Acids and Their Derivatives. III. The Crystal and Molecular Structure of γ-Guanidino-β-hydroxypropane Sulfonic Acid Next >> The Electrochemical Fluorination of Benzenes and Pyridines

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