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N-(5-Amino-2-methyl-phen-yl)-4-(3-pyri-dyl)-pyrimidin-2-amine.

ABSTRACT: The title compound, C(16)H(15)N(5), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angles of the pyrimidine ring with the benzene and pyridyl rings are 22.3?(1) and 53.2?(9)°, respectively, in mol-ecule A, and 6.8?(1) and 11.6?(9)° in mol-ecule B. The crystal packing is influenced by the collective action of weak inter-molecular N-H?N hydrogen bonds, a ?-? stacking inter-action between neighbouring pyridyl rings of mol-ecule A [centroid-centroid distance = 3.8395?(10)?Å] and C-H?? inter-actions.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC2979750 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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N-(5-Amino-2-methyl-phen-yl)-4-(3-pyri-dyl)-pyrimidin-2-amine.

Jasinski Jerry P JP Butcher Ray J RJ Hakim Al-Arique Q N M QN Yathirajan H S HS Narayana B B

Acta crystallographica. Section E, Structure reports online 20100113 Pt 2

The title compound, C(16)H(15)N(5), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angles of the pyrimidine ring with the benzene and pyridyl rings are 22.3 (1) and 53.2 (9)°, respectively, in mol-ecule A, and 6.8 (1) and 11.6 (9)° in mol-ecule B. The crystal packing is influenced by the collective action of weak inter-molecular N-H⋯N hydrogen bonds, a π-π stacking inter-action between neighbouring pyridyl rings of mol-ecule A [centroid-centroid dista ...[more]

PMID: 21579776

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