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The Molecular and Crystal Structure of tricyclazole, $C_9H_7N_3S$  

Keun Il Park (Department of Chemical Engineering, University of seoul)
Young Kie Kim (Department of Chemical Engineering, University of seoul)
Sung Il Cho (Department of Chemical Engineering, University of seoul)
Man Hyung Yoo (Department of Chemical Engineering, University of seoul)
Publication Information
Korean Journal of Crystallography / v.13, no.3_4, 2002 , pp. 152-157 More about this Journal
Abstract
The molecular and crystal structure of Tricyclazole, C/sub9/H/sub7/N₃S, has been determined by single crystal x-ray diffraction study. Crystallographic data for title compound: Pca2₁, a=14.889(1) Å, b=7.444(1) Å, c=15.189(2) Å, V=1683.3(3) ų, Z= 8. The molecular structure model was solved by direct methods and refined by full-matrix least-squares. The final reliable factor, R, is 0.047 for 1533 independent reflections (F/sub o//sup 2/)). The asymmetry unit contains two molecules which are in plate conformation, parallel to each other and related by a pseudo four-fold screw on the b-direction.
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