Title : ( Synthesis, Spectroscopic Study and Crystal Structure of a New Single-Enantiomer C(O)NHP(O)-Based Phosphoric Triamide, CCl3C(O)NHP(O)[(R)-(+)-NHCH(CH3)(C6H5)]2, 0.25 H2O )
Authors: Maral Ariani , Mehrdad Pourayoubi , Michal DuŠek , Banafsheh Vahdani Alviri , Vaclav Eigner , Krishnan Damodaran ,
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Abstract
The crystal structure of CCl3C(O)NHP(O)[(R)-(+)-NHCH(CH3)(C6H5)]2, 0.25 H2O has been determined; it belongs to the chiral space group P1. In all four phosphoric triamide molecules of the asymmetric unit, the P atom has a distorted tetrahedral [NCP]P(O)[NP][NP] configuration where two angles, O═P—NP, are the largest ones at the P atom, while the NP—P—NP angle is the smallest one (NCP and NP denote the nitrogen atoms of the C(O)NHP(O) part and the two other nitrogen atoms bonded to phosphorus, respectively). In the crystal structure, two symmetry-independent one-dimensional chains extended along the b axis can be distinguished, each composed of alternating two symmetry independent phosphoric triamide molecules connected through N—H…O interactions. The chains are interconnected through hydrogen bonds of water molecules, and the resulting assembly is a ribbon running along the b axis.
Keywords
, Single-Enantiomer, X-Ray Crystallography, Phosphoric Triamide
@article{paperid:1062311,
author = {Ariani, Maral and Pourayoubi, Mehrdad and Michal DuŠek and Vahdani Alviri, Banafsheh and Vaclav Eigner and Krishnan Damodaran},
title = {Synthesis, Spectroscopic Study and Crystal Structure of a New Single-Enantiomer C(O)NHP(O)-Based Phosphoric Triamide, CCl3C(O)NHP(O)[(R)-(+)-NHCH(CH3)(C6H5)]2, 0.25 H2O},
journal = {X-ray Structure Analysis Online},
year = {2017},
volume = {33},
number = {4},
month = {April},
issn = {1883-3578},
pages = {17--19},
numpages = {2},
keywords = {Single-Enantiomer; X-Ray Crystallography; Phosphoric Triamide},
}
%0 Journal Article
%T Synthesis, Spectroscopic Study and Crystal Structure of a New Single-Enantiomer C(O)NHP(O)-Based Phosphoric Triamide, CCl3C(O)NHP(O)[(R)-(+)-NHCH(CH3)(C6H5)]2, 0.25 H2O
%A Ariani, Maral
%A Pourayoubi, Mehrdad
%A Michal DuŠek
%A Vahdani Alviri, Banafsheh
%A Vaclav Eigner
%A Krishnan Damodaran
%J X-ray Structure Analysis Online
%@ 1883-3578
%D 2017
