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Figure 3
Relative energy values (ΔE in kJ mol−1) plotted against the N—C—C—S angle (°). Conformers of TNZ generated in the conformational analysis are shown in navy blue; conformers present in the crystal structures of TNZ-monoclinic, TNZ-triclinic and TNZ-hemihydrate in orange.

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ISSN: 2056-9890
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