The Crystal and Molecular Structure of Piperazinium Terephthalate, (H<SUB>2</SUB>NC<SUB>4</SUB>H<SUB>8</SUB>NH<SUB>2</SUB>)<SUP>2+</SUP>(O<SUB>2</SUB>C·C<SUB>6</SUB>H<SUB>4</SUB>·CO<SUB>2</SUB>)<SUP>2−</SUP>

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概要

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• Piperazinium terephthalate has been prepared and examined by X-ray analysis. The compound crystallizes in the monoclinic space group <I>P</I>2<SUB>1</SUB>⁄<I>c</I> with two formula units in a unit cell. The cell dimensions are: <I>a</I>=9.45, <I>b</I>=8.30, <I>c</I>=8.33 Å, and β=117.3°. The structure was determined by the Patterson method from the data collected with Cu<I>K</I>α radiation on Weissenberg photographs, and refined by the block-diagonal least-squares method with anisotropic temperature factors for non-hydrogen atoms and fixed isotropic ones for hydrogen atoms. The final <I>R</I> value is 0.108 for 941 non-zero reflections. Acid and base moieties occupy the positions of center of symmetry in the cell. Two N<SUP>+</SUP>−H…O<SUP>−</SUP> hydrogen bonds (2.612 and 2.737 Å) link a nitrogen atom of piperazine with two carboxyl oxygens of the acids related by <I>c</I> glide plane to form a three-dimensional hydrogen bond network, in which each oxygen atom accepts one hydrogen bond. The coordination around the nitrogen atom is nearly tetrahedral. The piperazine ring takes a chair form. The twisting angle between the carboxyl group and the benzene ring plane is 17.3°.

• 公益社団法人 日本化学会の論文

著者

• Kashino Setsuo

  Department Of Chemistry Faculty Of Science Okayama University

• Sasaki Minoru

  Department Of Acoustic Design Kyushu Institute Of Design

• Haisa Masao

  Department of Chemistry Faculty of Science Kwansei Gakuin University

• Sasaki Minoru

  Department of Chemistry, Faculty of Science, Okayama University

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