Investigations on the structure of 4-methyldihydro-1,3,4-benzotriazepin-5-ones. Tautomer reassignment.
The tautomerism of 4-methyldihydro-1,3,4-benzotriazepin-5-ones (2,3) is re-investigated by means of X-ray diffraction and quantum chemical calculations. The data revealed that the model compound (2a) exists in the amidrazone 1,4-dihydro tautomeric form (A), but not in the alternate 3,4-dihydro tautomer (B) as was previously reported.
Zahra
Jalal A
JA
Chemistry Department, Faculty of Science, University of Jordan, Amman, Jordan.
el-Abadelah
Mustafa M
MM
Nazer
Musa Z
MZ
Ebraheem
Kais A
KA
Boese
Roland
R