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N-{2-[(4S)-4-tert-Butyl-4,5-dihydro-1,3-oxazol-2-yl]phen-yl}-5,6-diphenyl-1,2,4-triazin-3-amine.

ABSTRACT: The title compound, C(28)H(27)N(5)O, was synthesized using palladium cross-coupling amination of 3-bromo-5,6-diphenyl-1,2,4-triazine with 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]aniline. The oxazoline ring is almost planar, with a maximum atomic deviation of 0.023?(5)?Å. The phenyl rings make dihedral angles of 29.0?(1) and 54.6?(1)° with the triazine ring while the benzene ring makes a dihedral angle of 0.6?(1)° with the oxazoline ring. The conformation of the mol-ecule is influenced by strong intra-molecular N-H?N and weak C-H?N hydrogen bonds. In the crystal, screw-axis related mol-ecules are linked into supra-molecular chains by inter-molecular C-H?O hydrogen bonds. ?-? stacking is observed between the oxazoline and triazine rings of adjacent mol-ecules, with a centroid-centroid distance of 3.749?(2)?Å.

SUBMITTER: Karczmarzyk Z

PROVIDER: S-EPMC3052057 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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N-{2-[(4S)-4-tert-Butyl-4,5-dihydro-1,3-oxazol-2-yl]phen-yl}-5,6-diphenyl-1,2,4-triazin-3-amine.

Karczmarzyk Zbigniew Z Wolińska Ewa E Fruziński Andrzej A

Acta crystallographica. Section E, Structure reports online 20110219 Pt 3

The title compound, C(28)H(27)N(5)O, was synthesized using palladium cross-coupling amination of 3-bromo-5,6-diphenyl-1,2,4-triazine with 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]aniline. The oxazoline ring is almost planar, with a maximum atomic deviation of 0.023 (5) Å. The phenyl rings make dihedral angles of 29.0 (1) and 54.6 (1)° with the triazine ring while the benzene ring makes a dihedral angle of 0.6 (1)° with the oxazoline ring. The conformation of the mol-ecule is influenced b ...[more]

PMID: 21522403

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