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The structure of N‐Pyrid‐2‐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.2170190516
Subject(s) - van der waals force , crystallography , monoclinic crystal system , steric effects , chemistry , molecule , atom (system on chip) , pyridine , van der waals radius , ring (chemistry) , diffractometer , dihedral angle , crystal structure , stereochemistry , hydrogen bond , medicinal chemistry , organic chemistry , computer science , embedded system
M r = 353.9, monoclinic, P 2 1 /c, a = 11.371(4), b = 11.391(5), c = 14.699(11) Å, β = = 97.78(2) 0 , Z = 4, V = 1888.6(6) Å 3 , D x = 1.28 Mgm −3 , final R = 0.052 for 2360 independent reflections excluding those with | F 0 | < 5 σ( F 0 ). Intensities were measured with an automatic diffractometer. ThePNC‐ part of the molecule is nearly coplanar with the pyridinring (torsion angle 6.4°). The P atom and the N(2) atom of the pyridinring overlap with their van der Waals spheres and have nearly the position with the maximum of steric hindrance. This conformation of the molecule is the consequence of a conjugation between the Ph 3 P=N‐group and the N‐standing pyridine ring as well as of an attraction between the P atom and the N(2) atom.