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N,N'-Dibenzyl-N,N'-dimethyl-N''-(2-phenyl-acet-yl)phospho-ric triamide.

ABSTRACT: The P atom in the title mol-ecule, C(24)H(28)N(3)O(2)P, is in a distorted tetra-hedral 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 sp(2) character. The P-N bonds in the P(O)[N(CH(3))(CH(2)C(6)H(5))](2) unit are shorter than the P-N bond in the C(=O)NHP(=O) fragment. An intra-molecular 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).

SUBMITTER: Pourayoubi M 

PROVIDER: S-EPMC3239060 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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N,N'-Dibenzyl-N,N'-dimethyl-N''-(2-phenyl-acet-yl)phospho-ric triamide.

Pourayoubi Mehrdad M   Shoghpour Samad S   Torre-Fernández Laura L   García-Granda Santiago S  

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

The P atom in the title mol-ecule, C(24)H(28)N(3)O(2)P, is in a distorted tetra-hedral 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 sp(2) character. The P-N bonds in the P(O)[N(CH(3))(CH(2)C(6)H(5))](2) unit are shorter than the P-N bond in the C(=O)NHP(=O) fragment. An intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, pairs of P=O⋯H-N hydrogen bonds form centrosymmetric dimers. C-H⋯O contacts a  ...[more]

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