In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 79, No. 9 ( 2023-09-01), p. 769-776
Kurzfassung:
The crystal structures of two single-enantiomer compounds, i.e. diphenyl [( R )-(+)-α-ethylbenzylamido]phosphate, C 21 H 22 NO 3 P or (C 6 H 5 O) 2 P(O)[NH-( R )-(+)CH(C 2 H 5 )(C 6 H 5 )] ( I ), and N -[( R )-(+)-α-ethylbenzyl]- P , P -diphenylphosphinic amide, C 21 H 22 NOP or (C 6 H 5 ) 2 P(O)[NH- R -(+)CH(C 2 H 5 )(C 6 H 5 )] ( II ), were studied. The different environments at the phosphorus atoms, (O) 2 P(O)(N) and (C) 2 P(O)(N), allow the P=O/P—N bond strengths to be compared, as well as the N—H...O=P hydrogen-bond strengths, and P=O/N—H vibrations. The following characteristics related to diastereotopic C 6 H 5 O/C 6 H 5 groups in I / II were considered: geometry parameters, contributions to the crystal packing, solution 13 C/ 1 H NMR chemical shifts, conformations, and NMR coupling constants. The phosphorus-carbon coupling constants n J PC ( n = 2 and 3) in I and m J PC ( m = 1, 2, 3 and 4) in II were evaluated. For a comparative study, chiral analogous structures were retrieved from the Cambridge Structural Database (CSD) and their geometries and conformations are discussed.
Materialart:
Online-Ressource
ISSN:
2056-9890
DOI:
10.1107/S2056989023006278
DOI:
10.1107/S2056989023006278/jq2028sup1.cif
DOI:
10.1107/S2056989023006278/jq2028sup3.docx
Sprache:
Unbekannt
Verlag:
International Union of Crystallography (IUCr)
Publikationsdatum:
2023
ZDB Id:
2843762-7
ZDB Id:
2041947-8
Bookmarklink