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N,N'-Dibenzyl-N,N'-dimethyl-N''-(2-phenylacetyl)phosphoric triamide

Author:
Pourayoubi, Mehrdad; Shoghpour, S.; Torre Fernández, LauraUniovi authority; García-Granda, SantiagoUniovi authority
Publication date:
2011
Publisher version:
http://dx.doi.org/10.1107/S1600536811049178
Citación:
Acta Crystallographica Section E: Structure Reports Online, 67(12), (2011); doi:10.1107/S1600536811049178
Abstract:

The P atom in the title molecule, C24H28N3O2P, 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 and the N atoms have sp2 character. The P-N bonds in the P(O)[N(CH3)(CH2C6H5)]2 unit are shorter than the P-N bond in the C(=O)NHP(=O) fragment. An intramolecular C-H...O hydrogen bond occurs. In the crystal, pairs of P=O...H-N hydrogen bonds form centrosymmetric dimers. C-H...O contacts are also observed. Four C atoms of two benzene rings are disordered over two alternative sites with an occupancy ratio of 0.523 (12):0.427 (12).

The P atom in the title molecule, C24H28N3O2P, 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 and the N atoms have sp2 character. The P-N bonds in the P(O)[N(CH3)(CH2C6H5)]2 unit are shorter than the P-N bond in the C(=O)NHP(=O) fragment. An intramolecular C-H...O hydrogen bond occurs. In the crystal, pairs of P=O...H-N hydrogen bonds form centrosymmetric dimers. C-H...O contacts are also observed. Four C atoms of two benzene rings are disordered over two alternative sites with an occupancy ratio of 0.523 (12):0.427 (12).

URI:
http://hdl.handle.net/10651/10145
ISSN:
1600-5368
Identificador local:

20111943

DOI:
10.1107/S1600536811049178
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  • Química Física y Analítica [639]
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