Title : ( Crystal structure, hydrogen bonds and C-X…p (X=H,F) interactions of a new acetyl phosphorylamidate )
Authors: Atekeh Tarahhomi , Mehrdad Pourayoubi ,
Full TextAbstract
Acetyl phosphorylamidates, with the general formula R\\\'C(O)NHP(O)R2 have been attracted attention due to containing nitrogen-carbonyl and nitrogen-phosphoryl moieties, and special properties resulting from them such as acting as O,O-donor ligands and inhibitory of urease and acetylcholinesterase enzymes. The new compound N-(4-fluorobenzoyl)-N\\\\\\\',N\\\\\\\'-bis (4-methyl-phenyl) phosphoric triamide was synthesized and characterized by 1H, 13C, 31P{1H}-NMR and IR spectroscopies and single crystal X-ray determination. The phosphorus atom has a distorted tetrahedral configuration and the phosphoryl and carbonyl groups are anti to each other. Important HBs of this compound is respectively involve the oxygen atoms of P=O and C=O in hydrogen bonding interaction with the H-NC(O)NHP(O) and H-Namide units. Another interesting feature of this structure is the existence of C-X…π (X = H, F) interactions [C(17)-H(17A)…C(20) & C(7)-H(7A)…C(19) and C(5)-F(1)…C(8)]. These non-covalent interactions and additional C(20)-H(20A)…F(1) are extended hydrogen-bonded chains in a 2-D array
Keywords
, Phosphoric triamide, NMR, X-ray crystallography, Hydrogen bonds, C-X…π interactions
@inproceedings{paperid:1028185,
author = {Tarahhomi, Atekeh and Pourayoubi, Mehrdad},
title = {Crystal structure, hydrogen bonds and C-X…p (X=H,F) interactions of a new acetyl phosphorylamidate},
booktitle = {12th Iranian Inorganic Chemistry Conference},
year = {2010},
location = {رشت, IRAN},
keywords = {Phosphoric triamide; NMR; X-ray crystallography; Hydrogen bonds; C-X…π interactions},
}
%0 Conference Proceedings
%T Crystal structure, hydrogen bonds and C-X…p (X=H,F) interactions of a new acetyl phosphorylamidate
%A Tarahhomi, Atekeh
%A Pourayoubi, Mehrdad
%J 12th Iranian Inorganic Chemistry Conference
%D 2010
