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Investigations on the structure of 4-methyldihydro-1,3,4-benzotriazepin-5-ones. Tautomer reassignment. 2003

Jalal A Zahra, and Mustafa M el-Abadelah, and Musa Z Nazer, and Kais A Ebraheem, and Roland Boese
Chemistry Department, Faculty of Science, University of Jordan, Amman, Jordan.

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.

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