The Crystal Structure of 1-Ethyl-5-bromouracil. I. The Crystal Structure of the Form I Crystal of 1-Ethyl-5-bromouracil

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概要

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• 1-Ethyl-5-bromouracil, C<SUB>6</SUB>H<SUB>7</SUB>N<SUB>2</SUB>O<SUB>2</SUB>Br, is crystallized in two forms. Crystals of the form I are monoclinic with four molecules in a unit cell of dimensions; <I>a</I>=7.89, <I>b</I>=12.01, <I>c</I>=9.71 Å, β=121.0°, space group <I>P</I>2<SUB>1</SUB>⁄<I>c</I>, Three-dimensional intensity data were collected by diffractometer with Mo-<I>K</I>α radiation. The structure was determined by heavy atom method and refined by the block-diagonal least-squares method. The final <I>R</I>-value was 0.052 for all observed reflections. The molecules are joined together in pairs around a center of symmetry with two N–H···O hydrogen bonds connecting N(3) to carbonyl oxygen O(4), and stacked with the base plane tilted each other.

• 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

• Mizuno Hiroshi

  Faculty of Pharmaceutical Sciences, Osaka University

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