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3-(4-Bromo-phen-yl)-3-(4-hydr-oxy-6-oxo-1,6-dihydro-pyrimidin-5-yl)-N-[(S)-1-phenyl-ethyl]propanamide.

ABSTRACT: In the mol-ecule of the title compound, C(21)H(20)BrN(3)O(3), the pyrimidine ring is oriented at dihedral angles of 80.87?(3) and 15.99?(3)°, respectively, to the pyrimidine and bromo-phenyl rings. The dihedral angle between the two benzene rings is 88.37?(3)°. In the crystal structure, inter-molecular N-H?O and O-H?N hydrogen bonds link the mol-ecules. A ?-? contact between pyrimidine and phenyl rings [centroid-centroid distance = 3.776?(3)?Å] may further stabilize the structure. The methine H and the methyl C and H atoms are disordered over two positions and were refined with occupancies of 0.522?(13) and 0.478?(13).

SUBMITTER: Peng JH 

PROVIDER: S-EPMC2968538 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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3-(4-Bromo-phen-yl)-3-(4-hydr-oxy-6-oxo-1,6-dihydro-pyrimidin-5-yl)-N-[(S)-1-phenyl-ethyl]propanamide.

Peng Ju-Hua JH   Hao Wen-Juan WJ   Tu Shu-Jiang SJ  

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

In the mol-ecule of the title compound, C(21)H(20)BrN(3)O(3), the pyrimidine ring is oriented at dihedral angles of 80.87 (3) and 15.99 (3)°, respectively, to the pyrimidine and bromo-phenyl rings. The dihedral angle between the two benzene rings is 88.37 (3)°. In the crystal structure, inter-molecular N-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules. A π-π contact between pyrimidine and phenyl rings [centroid-centroid distance = 3.776 (3) Å] may further stabilize the structure. The methine H  ...[more]

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