The Crystal and Molecular Structure of Sulfaguanidine Monohydrate

Sulfaguanidine Monohydrate의 結晶 및 分子構造

  • Koo, Chung-Hoe (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University) ;
  • Kim, Hoon-Sup (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University) ;
  • Shin, Whan-Chul (Department of Chemistry, College of Liberal Arts and Sciences, Seoul National University) ;
  • Choe, Chu-Hyn (Department of Chemistry, College of Liberal Arts and Sciences, Chonnam National University)
  • Published : 1974.04.30

Abstract

The crystal and molecular structure of sulfaguanidine monohydrate, $C_7H_{10}N_4O_2S{\cdot}H_2O$, was determined from visually estimated intensity data from Weissenberg photographs. The crystal data are monoclinic, space group $P2_1$/c with four molecules in a unit cell of dimensions, ${\alpha}=7.57{\pm}0.03,\;b=5.44{\pm}0.02,\;c=24.76{\pm}0.06{\AA},\;{\beta}=91.0{\pm}0.2^{\circ}$. The structure has been solved by an interpretation of a Patterson map and with a help of a direct procedure on a projection. The parameters were refined isotropically by block-diagonal least-squares methods using 1542 observed independent reflections to give R = 0.14. By hydrogen bonding a guanidyl nitrogen of a sulfaguanidine molecule is linked to the sulfonyl oxygens of the other molecules indirectly through two different water molecules. The role of water molecule is both a donor and an acceptor in hydrogen-bonding formation and these hydrogen bonds are tetrahedrally oriented. The hydrogen-bonding networks form infinite molecular layers parallel to (001) plane.

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