Title : ( A New Solvated Phosphoric Triamide, [(C6H4(3-CH3)NH)3P(O)] · (C2H5OH): A Database Analysis of N Atom Geometry in Compounds with an [N]3P(O) Fragment )
Authors: Mehrdad Pourayoubi , Mahnaz Rostami Chaijan , Zdenka Padelková , Aleš Ružicka ,
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Abstract
In the crystal structure of the title compound C21H24N3OP・C2H5OH, there are three crystallographically independent phosphoric triamide molecules and three ethanol molecules. The environments of the nitrogen atoms are practically planar. The phosphorus atoms display a distorted tetrahedral environment; the maximum and minimum values of angles are observed for one O—P—N and one N—P—N angles, respectively. In this structure, the phosphoramide and ethanol molecules are linked by some different intermolecular O—H・・・O and N—H・・・O hydrogen bonds to form chains. The title solvated compound has been further characterized by IR and 31P{1H}, 1H and 13C NMR spectroscopy. The geometry of the nitrogen atoms in this compound is analyzed and compared with those of analogous structures deposited in the Cambridge Structural Database (CSD; Allen, Acta Cryst. 2002, B58, 380-388).
Keywords
CSD; crystal structure; phosphoric triamide
@article{paperid:1036474,
author = {Pourayoubi, Mehrdad and Rostami Chaijan, Mahnaz and Zdenka Padelková and Aleš Ružicka},
title = {A New Solvated Phosphoric Triamide, [(C6H4(3-CH3)NH)3P(O)] · (C2H5OH): A Database Analysis of N Atom Geometry in Compounds with an [N]3P(O) Fragment},
journal = {Phosphorus, Sulfur, and Silicon and the Related Elements},
year = {2013},
volume = {188},
number = {1},
month = {January},
issn = {1042-6507},
pages = {224--231},
numpages = {7},
keywords = {CSD; crystal structure; phosphoric triamide},
}
%0 Journal Article
%T A New Solvated Phosphoric Triamide, [(C6H4(3-CH3)NH)3P(O)] · (C2H5OH): A Database Analysis of N Atom Geometry in Compounds with an [N]3P(O) Fragment
%A Pourayoubi, Mehrdad
%A Rostami Chaijan, Mahnaz
%A Zdenka Padelková
%A Aleš Ružicka
%J Phosphorus, Sulfur, and Silicon and the Related Elements
%@ 1042-6507
%D 2013
