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1,2,4‐Triazincs XIII. The bond lengths and bond angles of a 1,2,4‐triazine
Author(s) -
Atwood J. L.,
Krass D. K.,
Paudler William W.
Publication year - 1974
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.5570110515
Subject(s) - chemistry , bond length , triazine , crystallography , double bond , molecular geometry , ring (chemistry) , bent bond , single bond , sextuple bond , bond , stereochemistry , bond order , molecule , crystal structure , group (periodic table) , organic chemistry , finance , economics
The bond distances and bond angles of 5‐( p ‐chlorophenyl)‐1,2,4‐triazine determined by three dimensional X‐ray crystallographic analysis are reported. The pertinent bond lengths are N 1 N 2 , 1.335Å, N 2 ‐C 3 , 1.314Å, C 3 N 4 , 1.339; N 4 ‐C 5 , 1.317; C 5 ‐C 6 , 1.401; C 6 N 1 , 1.317Å. A comparison of these bond distances with those of similar polyazabenzenes shows that the canonical structure of 1,2,4‐triazine with a N 1 N 2 single bond more closely represents the ground state of this ring system, than the one with a N 1 N 2 double bond.