The crystal and molecular structure of 1-(2-amino-4-pyrimidinyl)-.BETA.-carboline.
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概要
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An alkaloid extracted from a small evergreen tree, <I>Annona montata</I>, was identified as 1-(2-amino-4-pyrimidinyl)-β-carboline monohydrate by the X-ray method. The crystal data are; <I>a</I>=20.699, <I>b</I>=4.453, <I>c</I>=15.720 Å, and β=112.16°; space group, P2<SUB>1</SUB>/c; Z=4. The structure was solved by the direct method and refined by the least-squares method to the final <I>R</I> value of 0.109 for 1451 independent reflections. The water molecule is connected to four nitrogen atoms by hydrogen bonds. Two of them are in different groups; one is in the five-membered ring of the β-carboline skelton, and the other is in the pyridine of the β-carboline skelton. The fifth hydrogen bond connects two nitrogen atoms, one of which is in the amino group, and the other, in the pyrimidine skelton.
著者
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YOKOMORI Yoshinobu
Department of Applied Chemistry, National Defense Academy
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Hirokawa Sakutaro
Department of Chemistry Defense Academy
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Sekido Kiyotane
Department of Chemistry, The National Defense Academy
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Wu Tian-Shung
Chia-Nan Junior College of Pharmacy
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Tien Hsien-Jun
Department of Chemistry, National Cheng Kung University
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