Dear All:
Disulfiram (DSF), known as Antabuse, has been clinically used for over 60 years (since 1951) as an alcohol deterrent in the treatment of alcoholism. Furthermore, DSF has been found effective against a wide variety of cancers in preclinical trials and emerged as a promising candidate for drug repurposing or repositioning in cancer therapy. So far, many works have been carried out to elucidate the properties of DSF.
However, there is inconsistency among the published XRD patterns of DSF. Our data do not match with published results either. If you guys have any reason for the disparity among the reported XRD patterns of DSF or could recommend any literature that describes a detailed XRD pattern of DSF, I would appreciate it.
Thanks,
Nil Pandey
The most obvious explanation is that this compound can crystallize in several polymorphic forms (different packing of molecules) or can be co-crystallized with some solvent molecules. All of such modifications will have different crystal structures and hence give different XRD patterns. The exact modification depends on the synthetic procedure.
Dear Igor Plokhikh :
Thank you very much for the valuable information!
Best,
Nil Pandey
Dear Nil,
Disulfiram has at least two space groups associated with the crystallization, the more symmetric P21/c (14) and the less symmetric, comparatively P21(4). Both have almost the same symmetry operations, been the P21/c of higher symmetry.
Nevertheless, depending on the solvent you are using, the Tetraethylthiuram disulfide may crystalize in some another space group generating a polymorph, as already stated.
The two I mention, P21/c has the cell a=11.110(20)Å b=15.900(30)Å c=8.660(20)Å, α=90° β=92.70(25)° γ=90° and P21 the following parameters Cell a=8.643Å b=15.864Å c=11.093Å, α=90° β=92.50° γ=90°. As you can see, they are about the same, differing in their origin definition.
Please, consider the impurity possibility, a synthesis residue, and even preferred orientation in your sample preparation for the XRD. All of these possibilities may give you different X-ray patterns.
Best regards,
WNM
I'm sorry, one correction the P21 is the lower symmetry, I saw the mistake, however, forgot to change.
WNM
Dear Wagner Da Nova Mussel :
Thanks for the information! I appreciate your help!
Regards,
Nil
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