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N,N,N',N'-Tetra-benzyl-N''-(2,6-difluoro-benzo-yl)phospho-ric triamide.

ABSTRACT: In the C(O)NHP(O) fragment of the title compound, C(35)H(32)F(2)N(3)O(2)P, the P-N bond is longer and the O-P-N angle is contracted compared with the other two P-N bonds and O-P-N angles. The P atom adopts a distorted tetra-hedral environment and the phosphoryl and carbonyl groups are anti with respect to each other. The two tertiary N atoms of the dibenzyl-amido groups show sp(2) character with a slight deviation from planarity. In the crystal, pairs of N-H?O(P) hydrogen bonds form inversion dimers.

SUBMITTER: Raissi Shabari A

PROVIDER: S-EPMC3515277 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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N,N,N',N'-Tetra-benzyl-N''-(2,6-difluoro-benzo-yl)phospho-ric triamide.

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

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

In the C(O)NHP(O) fragment of the title compound, C(35)H(32)F(2)N(3)O(2)P, the P-N bond is longer and the O-P-N angle is contracted compared with the other two P-N bonds and O-P-N angles. The P atom adopts a distorted tetra-hedral environment and the phosphoryl and carbonyl groups are anti with respect to each other. The two tertiary N atoms of the dibenzyl-amido groups show sp(2) character with a slight deviation from planarity. In the crystal, pairs of N-H⋯O(P) hydrogen bonds form inversion di ...[more]

PMID: 23284497

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Project description:In the title compound, C(8)H(17)ClF(2)N(3)O(2)P, the phosphoryl group and the NH unit of the C(O)NHP(O) moiety adopt a syn conformation with respect to each other. The P atom is in a tetra-hedral coordination environment and the environment of the N atom of the C(O)NHP(O) moiety is essentially planar. In the crystal, adjacent mol-ecules are linked via N-H?O =P and N-H?O =C hydrogen bonds, building R(2) (2)(8) and R(2) (2)(12) rings in a linear arrangement parallel to [110].

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