Acta Crystallographica Section E: Structure Reports Online, ( ISI ), Volume (68), No (2), Year (2012-2) , Pages (270-271)

Title : ( N,N- -Dibenzyl-N-- -(2,4-difluorobenzoyl)- N,N- -dimethylphosphoric triamide )

Authors: Mehrdad Pourayoubi , samad shoghpour bayraq , Laura Torre-Fernández , Santiago García-Granda ,

Citation: BibTeX | EndNote

Abstract

In the title molecule, C23H24F2N3O2P, the P atom is in a distorted tetrahedral P(═O)(N)(N)2 environment, with the bond angles around the P atom in the range 106.78 (11)–114.10 (13)°. The phosphoryl and carbonyl groups, which are separated by an N atom, adopt an anti orientation relative to each other. In the C(═O)NHP(═O) fragment, the P—N bond is longer [1.683 (2) Å] and the O—P—N angle is smaller [106.78 (11)°] than the other P—N bonds [1.613 (2) and 1.632 (2) Å] and O—P—N bond angles [114.10 (13) and 110.83 (12)°], respectively. The N atoms have sp2 character. In the crystal, pairs of P═O…H—N hydrogen bonds form inversion dimers with R22(8) ring motifs.

Keywords

, single, crystal X, ray study; T = 300 K; mean σ(C–C) = 0.005 Å; R factor = 0.051; wR factor = 0.141; data, to, parameter ratio = 15.7.
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@article{paperid:1030502,
author = {Pourayoubi, Mehrdad and Shoghpour Bayraq, Samad and Laura Torre-Fernández and Santiago García-Granda},
title = {N,N- -Dibenzyl-N-- -(2,4-difluorobenzoyl)- N,N- -dimethylphosphoric triamide},
journal = {Acta Crystallographica Section E: Structure Reports Online},
year = {2012},
volume = {68},
number = {2},
month = {February},
issn = {1600-5368},
pages = {270--271},
numpages = {1},
keywords = {single-crystal X-ray study; T = 300 K; mean σ(C–C) = 0.005 Å; R factor = 0.051; wR factor = 0.141; data-to-parameter ratio = 15.7.},
}

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%0 Journal Article
%T N,N- -Dibenzyl-N-- -(2,4-difluorobenzoyl)- N,N- -dimethylphosphoric triamide
%A Pourayoubi, Mehrdad
%A Shoghpour Bayraq, Samad
%A Laura Torre-Fernández
%A Santiago García-Granda
%J Acta Crystallographica Section E: Structure Reports Online
%@ 1600-5368
%D 2012

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