Synthesis, X-ray crystallography, and Hirshfeld surface analysis of a NewCarbacylamidophosphate

Carbacylamidophosphates (CAPh) with moiety –C(O)NHP(O)– are important inorganicligands in the synthesis of metal complexes such as transition metals, lanthanides, and Sn(IV) withbiological and pharmacological activities [۱,۲]. Besides, the biological activity behavior of CAPh,its seemed efficient ligands in coordination chemistry either as O,Ó-bidentate chelates in neutraland deprotonated form or in a monodentate fashion via oxygen of the phosphoryl group [۳,۴].Cl۲HCC(O)NHP(O)[NHC۶H۱۱]۲ was synthesized and characterized by IR spectroscopy andelemental analysis. The structure of CAPh was determined by single-crystal X-ray crystallographytechnique. The compound crystallizes in triclinic system, space group P۱¯, unit cell a =۴.۸۱۸۲(۳)Å, b = ۱۱.۶۶۹۳(۶) Å, c = ۱۶.۳۶۱۱(۹) Å, α = ۸۴.۱۷۱(۴), β = ۸۶.۸۳۶(۴)°, γ = ۸۵.۹۴۷(۴)°,Z=۲. In the crystalline lattice of CAPh, there are Op...NHamine and Oc...NHamide hydrogen bondsbetween adjacent molecules led to one dimentional polymer along the c-axis. There are also weakintramolecular hydrogen bonds CAPh adopts a ۳D supramolecular structure. The main noncovalentintermolecular interactions were also studied by Hirshfeld surface analysis and fingerprintplots.

کلیدواژه ها:

Carbacylamidophosphate ، X-ray crystallography ، Hirshfeld surface analysis