Structure of antitumor agents 2-acetylpyridinethiosemicarbazone hemihydrate and 2-acetylpyridinethiosemicarbazone hydrochloride |
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| Authors: | Avinash Kumbhar Pramila Sonawane Subhash Padhye Douglas X West and Ray J Butcher |
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| Institution: | (1) Department of Chemistry, University of Pune, 411 007 Pune, India;(2) Department of Chemistry, Illinois State University, 61761 Normal, Illinois;(3) Department of Chemistry, Howard University, 20059 Washington, DC |
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| Abstract: | The structures of two antitumor agents, 2-acetylpyridinethiosemicarbazone hemihydrate (1), C18H11N4O0.5S, colorless,M
r
203.3, monoclinic,P21
lc,a=16.713(3),b=9.460(2),c=12.642(2) ?, β=97.60(1)°,V=1981.2(6) ?3,Z=8,R=0.054,R
w
=0.085 and 2-acetylpyridinethiosemicarbazone hydrochloride (2), C18H12N4SCl, yellow,M
r
=230.7, monoclinic,P21
ln,a=7.676(2),b=7.889(1),c=17.452(4), ?, β=100.96(2)°,V=1037.5(4) ?3
Z=4,R=0.041,R
w
=0.076, have been determined. Both compounds exhibit an E configuration(S atomtrans to the N atom of the hydrazine group). Three hydrogen bonds link the two crystallographically independent molecules in a
pairwise fashion in the hemihydrate. An intramolecular N−H...Cl bond lends extra conformational stability to the hydrochloride
salt. |
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| Keywords: | Antitumor agents acetylpyridinethiosemicarbazone crystal structure |
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