The crystal and molecular structure of 3,4-dichloronitrobenzene.

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概要

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• C<SUB>6</SUB>H<SUB>3</SUB>Cl<SUB>2</SUB>NO<SUB>2</SUB>, F. W.=192.0, tetragonal, I4<SUB>1</SUB>/a, <I>a</I>=28.094(12), <I>c</I>=3.838(6) Å, <I>V</I>=3030 Å<SUP>3</SUP>, <I>Z</I>=16, <I>D</I><SUB>x</SUB>=1.68 Mg m<SUP>−3</SUP>, μ(Mo <I>K</I>α)=0.8 mm<SUP>−1</SUP>. Refinement with 1093 diffractometer data gave a final <I>R</I> value of 0.07. The molecule is practically planar except for the nitro group, the plane of which is inclined at 8.8° to the benzene plane. The two C–Cl bond distances are approximately equal to each other. The intermolecular Cl(2)···O(2<SUP>ii</SUP>) contact of 3.095 Å is remarkably short.

• 公益社団法人 日本化学会の論文

著者

• Kumakura Shigekazu

  Department Of Chemistry Faculty Of Science Saitama University

• Kuroishi Yoshinobu

  Department Of Chemistry Faculty Of Science Saitama University

• Kumakura Shigekazu

  Department of Chemistry, Saitama University

• Kuroishi Yoshinobu

  Department of Chemistry, Saitama University

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• The Crystal and Molecular Structure of cis-2,2-Diphenyl-3,4-dichlorothietane
• The Dipole Moment of Halogenobenzotropones
• The crystal and molecular structure of 3,4-dichloronitrobenzene.

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