Journal Title
Title of Journal: J Chem Crystallogr
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Abbravation: Journal of Chemical Crystallography
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Authors: La Keya A Belcher Philip J Squattrito
Publish Date: 2005/12/24
Volume: 36, Issue: 3, Pages: 175-180
Abstract
The compound 4amino3butyl124triazole5thione crystal data C6H12N4S triclinic P bar 1 Z = 2 a = 75462 b = 112173 c = 56811 Å α = 103122 β = 91332 γ = 72412° V = 44592 Å3 contains an essentially planar triazole ring with the butyl group rotated out of the plane by approximately 104° The molecules form hydrogenbonded dimers through intermolecular N–H cdots S interactions involving the thione sulfur atom and the protonated nitrogen atom on the ring These units are then linked into columns through N–H cdots N hydrogen bonds between the amine group and the unsubstituted ring N atom of adjacent molecules The structural features of this compound are compared with those of the corresponding triazoles with H methyl ethyl and propyl groups on the 3carbonWe thank Dennis Anderson and Matthew Quinn for collection and interpretation of NMR and IR spectra respectively This work was supported by a grant from the Faculty Research and Creative Endeavors Committee of Central Michigan University The support of the Herbert H and Grace A Dow Foundation The Dow Chemical Company Foundation and Central Michigan University in the establishment of the CMU Xray Crystallography Laboratory is gratefully acknowledged
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