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4-(4-Bromo-phen-yl)-6-(4-chloro-phen-yl)-pyrimidin-2-ylamine.

ABSTRACT: The title compound, C(16)H(11)BrClN(3), contains pairs of mol-ecules lying about inversion centers linked by amino-pyrimidine N-H?N hydrogen bonds. The eight-membered rings thus formed are represented by the R(2) (2)(8) motif in graph-set notation. The second H atom of the amine group shows a rather weak inter-action with two Br atoms, resulting in bifurcated N-H?(Br,Br) hydrogen bonds. The dihedral angles between the mean planes of the benzene rings and the mean plane of the heterocyclic ring are 8.98?(15) and 35.58?(10)°. The Br and Cl atoms show substitutional disorder, with site-occupancy factors of 0.599?(2) and 0.401?(2), respectively.

SUBMITTER: Bukhari MH 

PROVIDER: S-EPMC2968275 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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4-(4-Bromo-phen-yl)-6-(4-chloro-phen-yl)-pyrimidin-2-ylamine.

Bukhari Mujahid Hussain MH   Siddiqui Hamid Latif HL   Ahmad Naveed N   Siddiqui Waseeq Ahmad WA   Parvez Masood M  

Acta crystallographica. Section E, Structure reports online 20090128 Pt 2

The title compound, C(16)H(11)BrClN(3), contains pairs of mol-ecules lying about inversion centers linked by amino-pyrimidine N-H⋯N hydrogen bonds. The eight-membered rings thus formed are represented by the R(2) (2)(8) motif in graph-set notation. The second H atom of the amine group shows a rather weak inter-action with two Br atoms, resulting in bifurcated N-H⋯(Br,Br) hydrogen bonds. The dihedral angles between the mean planes of the benzene rings and the mean plane of the heterocyclic ring a  ...[more]

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