N-(4-Meth-oxy-phen-yl)-6-methyl-2-phenyl-5-{[4-(tri-fluoro-meth-yl)anilino]meth-y l}pyrimidin-4-amine

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Acta crystallographica.Section E, Structure reports online

Acta Crystallogr.Sect.E.Struct.Rep.Online

27-Nov

Pt 12

o1831

LR: 20140127; JID: 101089178; OID: NLM: PMC3885078; 2013/12/01 [ecollection]; 2013/11/16 [received]; 2013/11/20 [accepted]; 2013/11/27 [epublish]; epublish

United States

1600-5368; 1600-5368

PMID: 24454254

eng

Journal Article

10.1107/S160053681303170X [doi]

Unknown(0)

24454254

The title compound, C26H23F3N4O, crystallizes with two symmetry-independent mol-ecules in the asymmetric unit, denoted A and B, which differ mainly in the rotation of the meth-oxy-phenyl ring. The -CF3 group of mol-ecule B is disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853 (4). The dihedral angles between the pyrimidine ring and the attached phenyl, meth-oxy-phenyl and tri-fluoro-methyl-phenyl rings are 8.1 (2), 37.5 (2) and 70.7 (2) degrees , respectively, in mol-ecule A, and 9.3 (2), 5.3 (2) and 79.7 (2) degrees in mol-ecule B. An intra-molecular N-Hcdots, three dots, centeredN hydrogen bond occurs in each mol-ecule. In the crystal, two crystallographically independent mol-ecules associate into a dimer via a pair of N-Hcdots, three dots, centeredN hydrogen bonds, with a resulting R 2 (2)(12) ring motif and pi-pi stacking inter-actions [centroid-centroid distance = 3.517 (4) A] between the pyrimidine rings. For the A mol-ecules, there are inter-molecular C-Hcdots, three dots, centeredO hydrogen bonds between an aryl C atom of meth-oxy-phenyl ring and a meth-oxy O atom of an adjacent mol-ecule. A similar inter-action is lacking in the B mol-ecules.

Cieplik,J., Pluta,J., Bryndal,I., Lis,T.

Department of Organic Chemistry, Wroclaw Medical University, 9 Grodzka St, 50-137 Wroclaw, Poland.; Department of Applied Pharmacy, Wroclaw Medical Uniwersity, 38 Szewska St, 50-137 Wroclaw, Poland.; Department of Bioorganic Chemistry, Faculty of Engineer

20131127

PMC3885078

http://vp9py7xf3h.search.serialssolutions.com/?charset=utf-8&pmid=24454254

2013