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Two Conformers in Solution and Solid State for a Novel Phosphoramidate — Synthesis, Characterization and Crystal Structures of C 6 H 5 C(O)NHP(O)[NH( tert ‐C 4 H 9 )] 2 and CCl 3 C(O)NHP(O)[NH( tert ‐C 4 H 9 )] 2
Author(s) -
Gholivand Khodayar,
Pourayoubi Mehrdad
Publication year - 2004
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200400136
Subject(s) - conformational isomerism , crystallography , crystal structure , phosphoramidate , solid state , hydrogen bond , chemistry , infrared spectroscopy , nuclear magnetic resonance spectroscopy , spectroscopy , single crystal , stereochemistry , molecule , organic chemistry , physics , quantum mechanics
Two new phosphoramidates with formula RC(O)NHP(O)[NH( tert ‐C 4 H 9 )] 2 , R=C 6 H 5 , ( 1 ) and CCl 3 , ( 2 ) were synthesized and characterized by IR, 1 H‐, 13 C‐, 31 P NMR, mass spectroscopy and elemental analysis. The structures confirmed by X‐ray single crystal determination. Compound 1 appears as two conformers ( 1a and 1b ) in solid state as well as solution. Both compounds ( 1 and 2 ) exist in the polymeric chains in crystalline lattice produced by hydrogen bonding that for compound 1 , there are two independent infinite chains; each of them composed of one of the two conformers.