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KMID : 1059519850290020073
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Journal of the Korean Chemical Society
1985 Volume.29 No. 2 p.73 ~ p.79
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The Crystal and Molecular Structure of Acetone 4-Benzylthiosemicarbazone
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Park Young-Ja
Ahn Choong-Tai
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Abstract
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The crystal and molecular structure of acetone 4-benzylthiosemicarbazone, C11H15N3S, has been determined by the single crystal X-ray diffraction methods. The crystals are monoclinic, space group P21/c with unit cell dimensions, a = 10.249(7), b = 11.403(9), c = 10.149(7)Å, β = 90.9(1)° and z = 4. The intensities were collected on an automatic four-circle diffractometer with graphite-monochromated Mo-Kα radiation. The structure was solved by direct methods and refined by full matrix least-squares methods. The final R was 0.045 for 1554 observed reflections. S-C(8)-N(2)-N(3)-C(9)-C(10) atoms make a zigzag planar chain. There are no unusual bond lengths and angles. There are two independent hydrogen bonds in the crystal structure. One is N-H…S intermolecular hydrogen bond with the length of 3.555Å and makes dimer-like units. The other is N-H…N intramolecular hydrogen bond with the length of 2.568Å. The structure was compared with those of other thiosemicarbazone derivatives.
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