Title : ( N-(4-Fluorobenzoyl)-N- ,N-- -diisopropyl- phosphoric triamide )
Authors: Mehrdad Pourayoubi , Atekeh Tarahhomi , Arnold L. Rheingold , James A. Golen ,
Full TextAbstract
The asymmetric unit of the title phosphoric triamide, C13H21FN3O2P, consists of two independent molecules. In each molecule, the P═O group and the N—H unit belonging to the C(O)NHP(O) fragment are in a syn conformation with respect to each other. An intramolecular N—H…O hydrogen bond occurs in each molecule. The P atom adopts a distorted tetrahedral environment. The methyl groups of an isopropyl fragment are disordered over two sets of sites with refined occupancies of 0.458 (5) and 0.542 (5). In the crystal, molecules are linked through N—H…O(═P) and N—H…O(═C) hydrogen bonds into chains along [001].
Keywords
, single, crystal X, ray study; T = 100 K; mean σ(C–C) = 0.004 Å; disorder in main residue; R factor = 0.051; wR factor = 0.140; data, to, parameter ratio = 16.5.
@article{paperid:1031378,
author = {Pourayoubi, Mehrdad and Tarahhomi, Atekeh and Arnold L. Rheingold and James A. Golen},
title = {N-(4-Fluorobenzoyl)-N- ,N-- -diisopropyl- phosphoric triamide},
journal = {Acta Crystallographica Section E: Structure Reports Online},
year = {2012},
volume = {68},
number = {12},
month = {December},
issn = {1600-5368},
pages = {3406--3407},
numpages = {1},
keywords = {single-crystal X-ray study; T = 100 K; mean σ(C–C) = 0.004 Å; disorder in main residue; R factor = 0.051; wR factor = 0.140; data-to-parameter ratio = 16.5.},
}
%0 Journal Article
%T N-(4-Fluorobenzoyl)-N- ,N-- -diisopropyl- phosphoric triamide
%A Pourayoubi, Mehrdad
%A Tarahhomi, Atekeh
%A Arnold L. Rheingold
%A James A. Golen
%J Acta Crystallographica Section E: Structure Reports Online
%@ 1600-5368
%D 2012
