Crystal and molecular structure of trans-1,4-dibenzoyl-2,5-dimethylpiperazine.
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概要
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The crystal structure of <I>trans</I>-1,4-dibenzoyl-2,5-dimethyl-piperazine has been determined by the X-ray method. The space group is P2<SUB>1</SUB>/c, with <I>a</I>=7.483, <I>b</I>=6.577, <I>c</I>=19.939 Å, β=116.71° and <I>Z</I>=2. The structure was solved by the direct method and refined by the least-squares method to the final <I>R</I> factor of 0.094 for 2559 independent reflections. A nitrogen atom and three carbon atoms bonded to the nitrogen atom are approximately in a plane. The molecule is centrosymmetric, the piperazine ring having a <I>chair</I>-form. The methyl groups are in the axial position. The oxygen atom is approximately in a plane formed by N, C(carbonyl), and C(benzene). The dihedral angle between this plane and the benzene ring is approximetely 70°.
著者
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Hirokawa Sakutaro
Department of Chemistry Defense Academy
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Noguchi Teruo
Koa Oil Co., Ltd.
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Sekido Kiyotane
Department of Chemistry, The National Defense Academy
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Okamoto Kojun
Department of Chemistry, The National Defense Academy
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Itoh Jun
Koa Oil Co., Ltd.
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