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Bis(pyrrolidin-1-yl)phosphinic (2,4-di-fluoro-benzo-yl)amide.

ABSTRACT: The P atom in the title mol-ecule, C(15)H(20)F(2)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. An F atom at position 2 and an H atom at position 6 are found to occupy similar sites in a 0.70:0.30 ratio and were refined with fixed occupancies. The pyrrolidin-1-yl rings are disordered over two sets of sites, with site occupancies of 0.566?(6) and 0.434?(6), and were refined using a two-part model. In the crystal, hydrogen-bonded dimers linked by pairs of N-H?O(P) hydrogen bonds generate an R(2) (2)(8) ring motif.

SUBMITTER: Keikha M

PROVIDER: S-EPMC3435709 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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Bis(pyrrolidin-1-yl)phosphinic (2,4-di-fluoro-benzo-yl)amide.

Keikha Mojtaba M Pourayoubi Mehrdad M Jasinski Jerry P JP Golen James A JA

Acta crystallographica. Section E, Structure reports online 20120811 Pt 9

The P atom in the title mol-ecule, C(15)H(20)F(2)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. An F atom at position 2 and an H atom at position 6 are found to occupy similar sites in a 0.70:0.30 ratio and were refined with fixed occupancies. The pyrrolidin-1-yl rings are disordered over two sets of sites, with site occupancies of 0.566 (6) and 0.434 (6), and were refined using a two-p ...[more]

PMID: 22969580

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