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N,N-Dimethyl-N′,N′′-bis­(2-methyl­phenyl)phospho­ric triamide mono­hydrate

In the title compound, C(16)H(22)N(3)OP·H(2)O, the P atom adopts a distorted tetra­hedral environment with the bond angles around the P atom in the range 99.98 (7)–116.20 (7)°. The P—N bond length in the [(CH(3))(2)N]P(O) fragment [1.6392 (14) Å] is slightly shorter than two other P—N bonds [1.6439 ...

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Autores principales: Eslami, Farnaz, Pourayoubi, Mehrdad, Yousefi, Mohammad, Rheingold, Arnold L., Golen, James A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435677/
https://www.ncbi.nlm.nih.gov/pubmed/22969548
http://dx.doi.org/10.1107/S1600536812033995
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author Eslami, Farnaz
Pourayoubi, Mehrdad
Yousefi, Mohammad
Rheingold, Arnold L.
Golen, James A.
author_facet Eslami, Farnaz
Pourayoubi, Mehrdad
Yousefi, Mohammad
Rheingold, Arnold L.
Golen, James A.
author_sort Eslami, Farnaz
collection PubMed
description In the title compound, C(16)H(22)N(3)OP·H(2)O, the P atom adopts a distorted tetra­hedral environment with the bond angles around the P atom in the range 99.98 (7)–116.20 (7)°. The P—N bond length in the [(CH(3))(2)N]P(O) fragment [1.6392 (14) Å] is slightly shorter than two other P—N bonds [1.6439 (15) and 1.6530 (14) Å]. In the (CH(3))(2)NP(O) fragment, one of the methyl groups is syn to the P=O bond, whereas the other one is anti to the P=O bond [C—N—P=O torsion angles = 4.80 (17) and −174.57 (15)°]. In the crystal, the water mol­ecules form hydrogen bonds to the O atoms of the P=O bond of two different mol­ecules and act as acceptors for the two amino H atoms of the same mol­ecule. As a result, chains parallel to [010] are formed.
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spelling pubmed-34356772012-09-11 N,N-Dimethyl-N′,N′′-bis­(2-methyl­phenyl)phospho­ric triamide mono­hydrate Eslami, Farnaz Pourayoubi, Mehrdad Yousefi, Mohammad Rheingold, Arnold L. Golen, James A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(22)N(3)OP·H(2)O, the P atom adopts a distorted tetra­hedral environment with the bond angles around the P atom in the range 99.98 (7)–116.20 (7)°. The P—N bond length in the [(CH(3))(2)N]P(O) fragment [1.6392 (14) Å] is slightly shorter than two other P—N bonds [1.6439 (15) and 1.6530 (14) Å]. In the (CH(3))(2)NP(O) fragment, one of the methyl groups is syn to the P=O bond, whereas the other one is anti to the P=O bond [C—N—P=O torsion angles = 4.80 (17) and −174.57 (15)°]. In the crystal, the water mol­ecules form hydrogen bonds to the O atoms of the P=O bond of two different mol­ecules and act as acceptors for the two amino H atoms of the same mol­ecule. As a result, chains parallel to [010] are formed. International Union of Crystallography 2012-08-04 /pmc/articles/PMC3435677/ /pubmed/22969548 http://dx.doi.org/10.1107/S1600536812033995 Text en © Eslami et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Eslami, Farnaz
Pourayoubi, Mehrdad
Yousefi, Mohammad
Rheingold, Arnold L.
Golen, James A.
N,N-Dimethyl-N′,N′′-bis­(2-methyl­phenyl)phospho­ric triamide mono­hydrate
title N,N-Dimethyl-N′,N′′-bis­(2-methyl­phenyl)phospho­ric triamide mono­hydrate
title_full N,N-Dimethyl-N′,N′′-bis­(2-methyl­phenyl)phospho­ric triamide mono­hydrate
title_fullStr N,N-Dimethyl-N′,N′′-bis­(2-methyl­phenyl)phospho­ric triamide mono­hydrate
title_full_unstemmed N,N-Dimethyl-N′,N′′-bis­(2-methyl­phenyl)phospho­ric triamide mono­hydrate
title_short N,N-Dimethyl-N′,N′′-bis­(2-methyl­phenyl)phospho­ric triamide mono­hydrate
title_sort n,n-dimethyl-n′,n′′-bis­(2-methyl­phenyl)phospho­ric triamide mono­hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435677/
https://www.ncbi.nlm.nih.gov/pubmed/22969548
http://dx.doi.org/10.1107/S1600536812033995
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