Title : ( Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl) amide )
Authors: MOJTABA KEIKHA , Mehrdad Pourayoubi , Jerry P. Jasinski , James A. Golen ,
Full TextAbstract
The P atom in the title molecule, C15H20F2N3O2P, is in a distorted tetrahedral P(O)(N)(N)2 environment. The phosphoryl group and the NH unit adopt a syn orientation with respect to each other. An F atom at position 2 and an H atom at position 6 are found to occupy similar sites in a 0.70:0.30 ratio and were refined with fixed occupancies. The pyrrolidin-1-yl rings are disordered over two sets of sites, with site occupancies of 0.566 (6) and 0.434 (6), and were refined using a two-part model. In the crystal, hydrogen-bonded dimmers linked by pairs of N—H…O(P) hydrogen bonds generate an R22(8) ring motif.
Keywords
, single, crystal X, ray study; T = 173 K; mean σ(C–C) = 0.002 Å; disorder in main residue; R factor = 0.040; wR factor = 0.108; data, to, parameter ratio = 14.5.
@article{paperid:1030505,
author = {KEIKHA, MOJTABA and Pourayoubi, Mehrdad and Jerry P. Jasinski and James A. Golen},
title = {Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl) amide},
journal = {Acta Crystallographica Section E: Structure Reports Online},
year = {2012},
volume = {68},
number = {9},
month = {September},
issn = {1600-5368},
pages = {2688--2688},
numpages = {0},
keywords = {single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; disorder in main residue; R factor = 0.040; wR factor = 0.108; data-to-parameter ratio = 14.5.},
}
%0 Journal Article
%T Bis(pyrrolidin-1-yl)phosphinic (2,4-difluorobenzoyl) amide
%A KEIKHA, MOJTABA
%A Pourayoubi, Mehrdad
%A Jerry P. Jasinski
%A James A. Golen
%J Acta Crystallographica Section E: Structure Reports Online
%@ 1600-5368
%D 2012
