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5-[(4-Fluoro-anilino)meth-yl]-6-methyl-N-(4-methyl-phen-yl)-2-phenyl-pyrimidin-4-amine.

ABSTRACT: In the title compound, C(25)H(23)FN(4), the pyrimidine ring makes dihedral angles of 11.3?(2), 24.5?(2) and 70.1?(2)° with the phenyl and two benzene rings, and the mol-ecular conformation is stabilized by an intra-molecular N-H?N hydrogen bond with an S(6) ring motif. In the crystal, a pair of weak C-H?F hydrogen bonds link two mol-ecules into an inversion dimer with an R(2) (2)(16) motif. In the dimer, there is also an inter-molecular ?-? stacking inter-action [centroid-centroid distance = 3.708?(4)?Å] between the fluorinated benzene rings. The dimers are further linked by a C-H?? inter-action, so forming a column along the c axis.

SUBMITTER: Cieplik J

PROVIDER: S-EPMC3470299 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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5-[(4-Fluoro-anilino)meth-yl]-6-methyl-N-(4-methyl-phen-yl)-2-phenyl-pyrimidin-4-amine.

Cieplik Jerzy J Stolarczyk Marcin M Bryndal Iwona I Lis Tadeusz T

Acta crystallographica. Section E, Structure reports online 20120912 Pt 10

In the title compound, C(25)H(23)FN(4), the pyrimidine ring makes dihedral angles of 11.3 (2), 24.5 (2) and 70.1 (2)° with the phenyl and two benzene rings, and the mol-ecular conformation is stabilized by an intra-molecular N-H⋯N hydrogen bond with an S(6) ring motif. In the crystal, a pair of weak C-H⋯F hydrogen bonds link two mol-ecules into an inversion dimer with an R(2) (2)(16) motif. In the dimer, there is also an inter-molecular π-π stacking inter-action [centroid-centroid distance = 3.7 ...[more]

PMID: 23125712

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