Crystal structure of m-methylbenzamide

Orii S

doi:10.1246/bcsj.36.788

Crystal structure of m-methylbenzamide

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Orii S

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<jats:title>Abstract</jats:title> <jats:p>The crystal structure of m-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 (Fo–Fc) synthesis.</jats:p> <jats:p>1. The mean C-C distance in the benzene ring is 1.375Å, while C3–C8=1.526, C1-C7=1.504, C7-N=1.294 and C7-O=1.246Å.</jats:p> <jats:p>2. The amide group twists around the C1–C7 axis with an angle of 28.7° because of the steric hindrance on the contact of H6 and HN2.</jats:p> <jats:p>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.</jats:p> <jats:p>The crystal structure is of a type analogous to benzamide and δ-pyrazinamide.</jats:p>