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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 ...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3435677 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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