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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 3, Number 1
January 20, 1982 

The Crystal and Molecular Structures of Sulfametrole
Chung Hoe Koo, Yong Je Chung, Hyun So Shin, Jung Sun Suh
Sulfametrole, C9H10N4O3S2, crystallizes in the monoclinic system, space group P21/n, with a = 8.145(2), b = 16.505(4), c = 9.637(1)Å, β = 103.72(1)°, Dm = 1.52 gcm-3, Z = 4. Intensities for 3594(2143 observed) unique reflections were measured on a four-circle diffractometer with Mo Kα radiation (λ = 0.71069Å). 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 π-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° ). 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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