Journal of Molecular Structure, cilt.1269, 2022 (SCI-Expanded)
© 2022 Elsevier B.V.In the present study, dichloro trans-(7, 8 and 9) and cis-(10, 11 and 12) bis(benzylspiroN/N)cyclo-triphosphazenes were prepared by the reaction of hexachlorocyclotriphosphazene, N3P3Cl6 (HCCP; trimer) with the corresponding diamines (1, 2 and 3). The reactions of 7, 9 and 10 with excess pyrrolidine yielded trans-(13 and 14) and cis-(15) geminal-phosphazenes. Cis-derivatives (10, 11, 12 and 15) are to be in the meso form (RS/SR). Since the two benzyl groups are in the trans position in compounds 7, 8, 9, 13 and 14, they are only expected to be in the form of a racemic mixture (RR/SS). The space groups of 7 and 13 were found to be P 21/n and P 21/c, respectively. These two space groups are centrosymmetric and both enantiomers must exist in the crystal lattices of the compounds. Since the absolute configurations of enantiomers of 7 and 13 are respectively found as RR and SS by X-ray crystallography, the others must be SS and RR. The chiralities of 7 and 13 were also confirmed using 31P NMR spectroscopy recorded upon the addition of chiral solvating agent [(S)-(+)-2,2,2-trifluoro-1-(9’-anthryl)ethanol, CSA]. In addition, Hirshfeld surface (HS) analysis indicated van der Waals interactions as leading intermolecular interactions in the crystal structures.