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مریم پاس، نیلوفر درستی، Harald Krautscheid

Carbacylamidophosphates (CAPh) with moiety –C(O)NHP(O)– are important inorganic ligands in the synthesis of metal complexes such as transition metals, lanthanides, and Sn(IV) with biological and pharmacological activities [1,2]. Besides, the biological activity behavior of CAPh, its seemed efficient ligands in coordination chemistry either as O,Ó-bidentate chelates in neutral and deprotonated form or in a monodentate fashion via oxygen of the phosphoryl group [3,4]. Cl2HCC(O)NHP(O)[NHC6H11]2 was synthesized and characterized by IR spectroscopy and elemental analysis. The structure of CAPh was determined by single-crystal X-ray crystallography technique. The compound crystallizes in triclinic system, space group P1¯, unit cell a = 4.8182(3)Å, b = 11.6693(6) Å, c = 16.3611(9) Å, α = 84.171(4), β = 86.836(4)°, γ = 85.947(4)°, Z=2. In the crystalline lattice of CAPh, there are Op...NHamine and Oc...NHamide hydrogen bonds between adjacent molecules led to one dimentional polymer along the c-axis. There are also weak intramolecular hydrogen bonds CAPh adopts a 3D supramolecular structure. The main non-covalent intermolecular interactions were also studied by Hirshfeld surface analysis and fingerprint plots.

Carbacylamidophosphate, X-ray crystallography, Hirshfeld surface analysis

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پاس، مریم، درستی، نیلوفر، Krautscheid، Harald، 1402، Synthesis, X-ray crystallography, and Hirshfeld surface analysis of a New Carbacylamidophosphate، بیست و دومین کنفرانس شیمی معدنی ایران، https://conference.uok.ac.ir/fa/archive_index.php?c=HN-iicc22&aid=1517561