The Crystal and Molecular Structure of 1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl) Urea: Tolazamide ($C_{14}H_{21}N_3O_3S$)

  • Koo, Chung-Hoe (Department of Chemistry College of Natural Sciences Seoul National University) ;
  • Suh, Jung-Sun (Department of Chemistry College of Natural Sciences Seoul National University) ;
  • Yeon, Young-Hee (Department of Chemistry College of Natural Sciences Seoul National University) ;
  • Watanabe, Tokunosuke (Department of Chemistry Osaka University)
  • Published : 1988.03.01

Abstract

Crystals of tolazamide, $C_{14}H_{21}N_3O_3S$, are triclinic space group $P{\bar{1}}$ with cell dimensions of a = 6.355 (2), b = 9.223 (2), c = 13.510 (3) A, ${\alpha}\;=\;101.04\;(8),\;{\beta}=92.80(5),\;{\gamma}\;=\;85.72\;(6)^{\circ}$ and Z = 2. Intensities were collected on an automated four-circle diffractometer using graphite-monochromated Cu K ${\alpha}$ radiations. The structure was solved by direct method and refined by full-matrix least-squares to an R factor of 0.058 for 1184 observed reflections. The molecules are dimerized by the $N-H{\cdots}O$ hydrogen bonds. There are only van der Waals interactions between these molecular dimers.

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