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N,N,N',N'-Tetra-ethyl-N''-(2-fluoro-benzo-yl)phospho-ric triamide.

ABSTRACT: In the title compound, C(15)H(25)FN(3)O(2)P, the phosphoryl group is in an anti and syn orientation to the C=O and N-H groups, respectively. The P atom is in a distorted tetra-hedral environment. One of the ethyl groups is disordered over two sets of sites with refined occupancies of 0.755?(6) and 0.245?(6). In addition, the F atom was refined as disordered with occupancies fixed at 0.9 and 0.1. This disorder corresponds to a rotation of approximately 180° of the fluoro-benzene ring about its connecting C-C bond. In the crystal, pairs of inter-molecular N-H?O(=P) hydrogen bonds form centrosymmetric dimers.

SUBMITTER: Tarahhomi A

PROVIDER: S-EPMC3201378 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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N,N,N',N'-Tetra-ethyl-N''-(2-fluoro-benzo-yl)phospho-ric triamide.

Tarahhomi Atekeh A Pourayoubi Mehrdad M Rheingold Arnold L AL Golen James A JA

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title compound, C(15)H(25)FN(3)O(2)P, the phosphoryl group is in an anti and syn orientation to the C=O and N-H groups, respectively. The P atom is in a distorted tetra-hedral environment. One of the ethyl groups is disordered over two sets of sites with refined occupancies of 0.755 (6) and 0.245 (6). In addition, the F atom was refined as disordered with occupancies fixed at 0.9 and 0.1. This disorder corresponds to a rotation of approximately 180° of the fluoro-benzene ring about its co ...[more]

PMID: 22058773

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