ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

The Crystal and Molecular Structure of 3-Phenyl-5-benzyl-6-oxo-1,6-dihydro-1,2,4-triazine

Z. Trávníček, K. Nálepa, and J. Marek

Department of Inorganic and Physical Chemistry, Faculty of Natural Sciences, Palacký University, CZ-771 47 Olomouc

Abstract: The crystal and molecular structure of the title compound was elucidated. The structure was solved by direct methods and refined anisotropically to R = 0.0393 for 1577 unique observed reflections. The crystal is monoclinic, P2₁/c, a =12.036(2) 10^-10 m, b = 12.3257(11) 10^-10 m, c = 9.3466(12) 10^-10 m, β = 102.719(12)°, Z = 4. The presence of one from possible tautomeric structures has been proved using X-ray diffraction. The structure is stabilized by intermolecular hydrogen bonds.

Full paper in Portable Document Format: 492a51.pdf

Chemical Papers 49 (2) 51–53 (1995)