Crystal Structure of <I>m</I>-Methylbenzamide

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概要

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• The crystal structure of <I>m</I>-methylbenzamide has been determined by two-dimensional X-ray methods. The atomic positions obtained from the trial and error method are refined by the modified (<I>F</I><SUB>o</SUB>–<I>F</I><SUB>c</SUB>) synthesis.<BR>1. The mean C-C distance in the benzene ring is 1.37<SUB>5</SUB>Å, while C<SUB>3</SUB>–C<SUB>8</SUB>=1.52<SUB>6</SUB>, C<SUB>1</SUB>-C<SUB>7</SUB>=1.50<SUB>4</SUB>, C<SUB>7</SUB>-N=1.29<SUB>4</SUB> and C<SUB>7</SUB>-O=1.24<SUB>6</SUB>Å.<BR>2. The amide group twists around the C<SUB>1</SUB>–C<SUB>7</SUB> axis with an angle of 28.7° because of the steric hindrance on the contact of H<SUB>6</SUB> and H<SUB>N2</SUB>.<BR>3. The molecules are connected by NH–O hydrogen bonds, 3.22Å, forming dimers which are linked with each other by other NH–O hydrogen bonds, 2.97Å, into endless chains.<BR>The crystal structure is of a type analogous to benzamide and δ-pyrazinamide.

• 社団法人 日本化学会の論文

著者

• Orii S.

  Institute Of Laser Engineering Osaka University:fujitsu Limited

• Orii Seiki

  Institute for Protein Research Osaka University

• Nakamura Toshio

  Institute for Protein Research Osaka University

• Takaki Yoshito

  Institute for Protein Research Osaka University

• Sasada Yoshio

  Institute for Protein Research Osaka University

• Kakudo Masao

  Institute for Protein Research Osaka University

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