Abstract: Three polymorphs of N4-ethyl-N1-(diphenylphosphoryl)acetyl-thiosemicarbazide, which exemplify packing polymorphism, are obtained and characterized. Polymorphs have the same molecular conformation stabilized by the intramolecular N–H⋯O hydrogen bond and the morphology of primary 1D crystal-forming motifs. The main difference of one of the polymorphs is known to be due to a change in the type of the hydrogen bonding acceptor and the arrangement of molecules in the 1D motif. In the other two polymorphs with the identical 1D motif, the difference consists in the arrangement of 2D layers formed by weaker interactions. Despite that the parallel packing of 2D layers for the polymorph with two independent molecules appears to be somewhat more favorable than the antiparallel packing occurring in the polymorph crystal with Z′ = 1, the DSC results indicate that the latter is the thermodynamic form under normal conditions. It is shown that the polymorphs are characterized by a similar structural organization of crystal lattices which consists in the localization of regions containing hydrophilic and hydrophobic molecular fragments in the crystals.

Cite: Samigullina A.I. , Isaeva A.O. , Komunarova D.K. , Burangulova R.N. , Gavrilova E.L. , Zakharychev D.V. , Gubaidullin A.T.
Polymorphism in N4-Ethyl-N1-(Diphenylphosphoryl)Acetyl-Thiosemicarbazide crystals
Journal of Structural Chemistry. 2024. V.65. N3. P.596-609. DOI: 10.1134/s0022476624030144 WOS Scopus OpenAlex

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Web of science:	WOS:001303652800019
Scopus:	2-s2.0-85191797877
OpenAlex:	W4396508975

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