Abstract
The P atom in the title molecule, C15H20F2N3O2P, 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. 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.
Highlights
The P atom in the title molecule, C15H20F2N3O2P, is in a distorted tetrahedral P(O)(N)(N)2 environment
The pyrrolidin1-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
Hydrogen-bonded dimers linked by pairs of N—H O(P) hydrogen bonds generate an
Summary
Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.002 Å; disorder in main residue; R factor = 0.040; wR factor = 0.108; data-to-parameter ratio = 14.5. The P atom in the title molecule, C15H20F2N3O2P, is in a distorted tetrahedral P(O)(N)(N) 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 pyrrolidin1-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. Hydrogen-bonded dimers linked by pairs of N—H O(P) hydrogen bonds generate an
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