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The structure of N‐Pyrid‐4‐yl‐iminotriphenylphosphorane, C 23 H 19 N 2 P
Author(s) -
Kulpe S.,
Seidel I.,
Bödeker J.,
Köckritz P.
Publication year - 1984
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170190515
Subject(s) - pyridine , ring (chemistry) , chemistry , van der waals force , dihedral angle , crystallography , monoclinic crystal system , atom (system on chip) , steric effects , molecule , van der waals radius , stereochemistry , crystal structure , hydrogen bond , medicinal chemistry , organic chemistry , computer science , embedded system
M r = 353.9, monoclinic, P 2 1 /c, a = 11.248(2), b = 11.323(2), c = 14.845(4) Å, β = = 95.87(2) 0 , Z = 4, V = 1880.8(3) Å 3 , D x = 1.28 Mgm −3 , final R = 0.049 for 1995 independent reflections excluding those with | F 0 | < 5 σ( F 0 ). Intensities were measured with an automatic diffractometer. ThePNC‐group of the molecule is nearly coplanar with the pyridine ring (dihedral angle 4.1°). The P atom and the C(2) atom of the pyridine ring overlap with their van der Waals spheres and have nearly the position with the maximum of steric hindrance. This conformation is the consequence of a conjugation between the Ph 3 PNgroup and the N‐standing pyridine ring as well as of an attraction between the P atom and the C(2) atom. A similar conformation has been observed in the molecule of N‐pyrid‐2‐yliminotriphenylphosphorane.