17th Iranian Inorganic Chemistry Conference , 2015-09-03

Title : ( A database analysis of P—O—C bond angles in the structures with P(O)[O—C]2[N] and P(S)[O—C]2[N] segments: a comparison with P—S—C bond angles and completed with three new structures )

Authors: Fahimeh Sabbaghi , Mehrdad Pourayoubi , Sahar Bayat , Michal Dušek , Václav Eigner ,

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Abstract

In the previous published papers, some structural features of phosphoramides1,2 and thiophosphoramides3,4 were considered through diffraction study of some derivatives and also analysis of analogous structures deposited in the Cambridge Structural Database.5 Among these systematic studies, some of them concern the analysis related to the nitrogen atom (s) bonded to phosphorous, in compounds containing N—P(═O) and N—P(═S) segments. Here, we focus on the oxygen atom (s) bonded to phosphorous, considering the structures with P(O)[O—C]2[N] and P(S)[O—C]2[N] segments deposited in the CSD and two new structures reported here: P(O)[OC6H5]2[NHNHC6H5] and P(S)[OCH3]2 [NHCH(CH3)2]. So, the histograms of P—O—C bond angles were considered in the noted structures. The result of this analysis for the structures with a P(S)[O—C]2[N] segment is given in Fig. 1. Moreover, for a comparison of the geometry at the oxygen atom bonded to phosphorous atom with the geometry of the sulfur atom bonded to phosphorous, one novel salt structure is studied: [2-Cl-C6H4CH2NH3]2[(CH3S)P(O)—O—P(O)(SCH3)] and compared with a few analogous structures deposited in the CSD. Fig. 1. A histogram of P—O—C bond angles (°) is given for the structures with a P(S)[O—C]2[N] segments deposited in the CSD. References 1 M. Pourayoubi, M. Toghraee, V. Divjakovic, A. van der Lee, T. Mancilla Percino, M. A. Leyva Ramírez, A. Saneei, Acta Cryst., 2013, B69, 184–194. 2 M. Pourayoubi, M. Toghraee, J. Zhu, M. Dušek, P. J. Bereciartua, V. Eigner, Cryst. Eng.Comm., 2014, 16, 10870–10887. 3 M. Pourayoubi, M. Abrishami, V. Eigner, M. Nečas, M. Dušek, M. Delaver, Acta Cryst., 2014, C70, 1147–1152. 4 A. Raissi Shabari, M. Pourayoubi, P. Marandi, M. Dušek, V. Eigner, Acta Cryst., 2015, C71, 338–343. 5 F. H. Allen, Acta Cryst. 2002, B58, 380–388.

Keywords

, Cambridge Structural Database, X-ray crystallography, phosphoramide, thiophosphoramide, P—O—C bond angle
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@inproceedings{paperid:1054121,
author = {Fahimeh Sabbaghi and Pourayoubi, Mehrdad and Sahar Bayat and Michal Dušek and Václav Eigner},
title = {A database analysis of P—O—C bond angles in the structures with P(O)[O—C]2[N] and P(S)[O—C]2[N] segments: a comparison with P—S—C bond angles and completed with three new structures},
booktitle = {17th Iranian Inorganic Chemistry Conference},
year = {2015},
location = {تبریز, IRAN},
keywords = {Cambridge Structural Database; X-ray crystallography; phosphoramide; thiophosphoramide; P—O—C bond angle},
}

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%0 Conference Proceedings
%T A database analysis of P—O—C bond angles in the structures with P(O)[O—C]2[N] and P(S)[O—C]2[N] segments: a comparison with P—S—C bond angles and completed with three new structures
%A Fahimeh Sabbaghi
%A Pourayoubi, Mehrdad
%A Sahar Bayat
%A Michal Dušek
%A Václav Eigner
%J 17th Iranian Inorganic Chemistry Conference
%D 2015

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