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

Cieplik J, Stolarczyk M, Bryndal I, Lis T - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent mol-ecules, denoted A and B.The dihedral angles between the pyrimidine ring and the phenyl, fluorophenyl and ethoxyphenyl rings are 15.4 (2), 28.4 (2) and 77.5 (2)°, respectively, in mol-ecule A, and 15.9 (2), 2.7 (2) and 61.8 (2)° in mol-ecule B.The (4-eth-oxy-anilino)methyl group of the B mol-ecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900 (2).

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent mol-ecules, denoted A and B. The conformation of each mol-ecule is mainly determined by an intra-molecular N-H⋯N hydrogen bond, which closes a six-membered ring. The dihedral angles between the pyrimidine ring and the phenyl, fluorophenyl and ethoxyphenyl rings are 15.4 (2), 28.4 (2) and 77.5 (2)°, respectively, in mol-ecule A, and 15.9 (2), 2.7 (2) and 61.8 (2)° in mol-ecule B. Inter-molecular N-H⋯N hydrogen bonds and π-π stacking inter-actions between pyrimidine rings [centroid-centroid distance = 3.692 (4) Å] connect mol-ecules A and B into dimers and C-H⋯O hydrogen bonds link the dimers into zigzag chains along [011]. The (4-eth-oxy-anilino)methyl group of the B mol-ecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900 (2).

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Related in: MedlinePlus

The two symmetry independent molecules of the title compound. Two independent molecules are denoted as A and B (or C in the case of disordered part attached to C5B), respectively. In the part C only two atoms are labelled. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. The dotted lines indicate intramolecular N—H···N hydrogen bonds. Open solid lines represent fragment of a minor component of the disordered B molecule.
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Fap1: The two symmetry independent molecules of the title compound. Two independent molecules are denoted as A and B (or C in the case of disordered part attached to C5B), respectively. In the part C only two atoms are labelled. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. The dotted lines indicate intramolecular N—H···N hydrogen bonds. Open solid lines represent fragment of a minor component of the disordered B molecule.


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

Cieplik J, Stolarczyk M, Bryndal I, Lis T - Acta Crystallogr Sect E Struct Rep Online (2012)

The two symmetry independent molecules of the title compound. Two independent molecules are denoted as A and B (or C in the case of disordered part attached to C5B), respectively. In the part C only two atoms are labelled. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. The dotted lines indicate intramolecular N—H···N hydrogen bonds. Open solid lines represent fragment of a minor component of the disordered B molecule.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379319&req=5

Fap1: The two symmetry independent molecules of the title compound. Two independent molecules are denoted as A and B (or C in the case of disordered part attached to C5B), respectively. In the part C only two atoms are labelled. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. The dotted lines indicate intramolecular N—H···N hydrogen bonds. Open solid lines represent fragment of a minor component of the disordered B molecule.
Bottom Line: The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent mol-ecules, denoted A and B.The dihedral angles between the pyrimidine ring and the phenyl, fluorophenyl and ethoxyphenyl rings are 15.4 (2), 28.4 (2) and 77.5 (2)°, respectively, in mol-ecule A, and 15.9 (2), 2.7 (2) and 61.8 (2)° in mol-ecule B.The (4-eth-oxy-anilino)methyl group of the B mol-ecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900 (2).

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent mol-ecules, denoted A and B. The conformation of each mol-ecule is mainly determined by an intra-molecular N-H⋯N hydrogen bond, which closes a six-membered ring. The dihedral angles between the pyrimidine ring and the phenyl, fluorophenyl and ethoxyphenyl rings are 15.4 (2), 28.4 (2) and 77.5 (2)°, respectively, in mol-ecule A, and 15.9 (2), 2.7 (2) and 61.8 (2)° in mol-ecule B. Inter-molecular N-H⋯N hydrogen bonds and π-π stacking inter-actions between pyrimidine rings [centroid-centroid distance = 3.692 (4) Å] connect mol-ecules A and B into dimers and C-H⋯O hydrogen bonds link the dimers into zigzag chains along [011]. The (4-eth-oxy-anilino)methyl group of the B mol-ecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900 (2).

No MeSH data available.


Related in: MedlinePlus