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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)
  • Published : 1982.03.31

Abstract

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.

Keywords

References

  1. Acta Cryst. v.B27 G.J. Kruger;G. Gafner
  2. Acta Cryst. v.22 A. M. O'Connell;E. N. Maslen
  3. T. Wadanabe;C. H. Koo;J. S. Suh;Y. H. Yeon
  4. C. H. Koo;Y. H. Yoen
  5. Acta Cryst. v.B34 P. L. Dupont;J. Lamotte;H. Campsteyn;M. Vermeire
  6. MULTAN. A System of Computer Programs for the Automatic Solution for X-ray Diffraction Data P. Main;L. Lessinger;M.M. Woolfson;G. Germain;J. P. Declercq
  7. SHELX 76. Program for Crystal Structure Determination G. M. Sheldrick
  8. Proc. Roy. Soc. v.A247 E. G. Cox;D. W. J. Cruickshank;J. A. S. Smith
  9. J. Chem. Soc. D. W. J. Cruickshank
  10. Acta Cryst. v.B26 H. P. Klug
  11. The Nature of the Chemical Bond L. Pauling

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