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Crystal and molecular structure of triphenyl 4,4,6‐Trimetliyl‐1‐oxa‐3‐azaeyeiohex‐2‐enylcarbenyl phosphonium chloride
Author(s) -
Trefonas L. M.,
Brown J. N.
Publication year - 1972
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570090503
Subject(s) - chemistry , monoclinic crystal system , ring (chemistry) , crystallography , molecule , crystal structure , chloride , stereochemistry , organic chemistry
The structure of the title compound has been determined by a single crystal, x‐ray diffraction study. The compound crystallizes in a monoclinic unit cell of P2 1 /c symmetry and dimensions, a = 9.832 ± .001 Å, b = 15.398 ± .001 Å, c = 19.762 ± .002 Å, and β= 123.06 ± .01 ° with four molecules per unit cell. The 1633 statistically significant reflections (from a total of 2743 out to 20 = 100°) refined to a final value of R = 0.05 3 . The molecule itself consists of a chloride ionically bonded to a cation containing a tetrahedral phosphorus bound to three phenyl rings and a fourth oxazine ring. It is the latter ring which displays extensive derealization as discussed in the paper.