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The Crystal and Molecular Structures of Sulfametrole

  • Koo Chung Hoe (Department of Chemistry, Seoul National University) ;
  • Chung Yong Je (Department of Chemistry, Seoul National University) ;
  • Shin Hyun So (Department of Chemical Engineering, Dongguk University) ;
  • Suh Jung Sun (Department of Chemical Engineering, Myong Ji University)
  • 발행 : 1982.03.31

초록

Sulfametrole, $C_9H_{10}N_4O_3S_2$, crystallizes in the monoclinic system, space group $P2_1/n$ , with a = 8.145(2), b = 16.505(4), c = 9.637(1)${\AA},{\beta}=103.72(1)^{\circ},D_m=1.52gcm^{-3}$,Z=4.Intensities for 3594(2143 observed) unique reflections were measured on a four-circle diffractometer with Mo $K{\alpha}$ radiation $({\lambda}=0.71069{\AA})$. The structure was solved by direct method and refined by full-matrix least squares to a final R of 0.070. The geometrical features of the thiadiazole ring indicate some ${pi}$-electron delocalization inside the ring. The least squares planes defined by the benzene and thiadiazole rings are nearly perpendicular to each other(dihedral angle; $93.9^{\circ}$ ). All the potential hydrogen-bond donor atoms in the molecule, N(1) and N(2), are included in the hydrogen bonding. The molecules through hydrogen bonding form three dimensional network.

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참고문헌

  1. Acta Cryst. v.B27 G.J. Kruger;G. Gafner
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피인용 문헌

  1. Interaction Between Trimethoprim and Some Sulfa Drugs vol.14, pp.4, 1988, https://doi.org/10.3109/03639048809151875