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(RS)-(2-Bromo-4-fluoro-anilino)[2-(4,6-dimethoxy-pyrimidin-2-yl-oxy)phen-yl]acetonitrile.

ABSTRACT: In the title compound, C(20)H(16)BrFN(4)O(3), the pyrimidine and 2-bromo-4-fluoro-phenyl rings are twisted away from the central benzene ring, making dihedral angles of 77.7?(1) and 85.5?(1), respectively. A pair of C-H?F inter-actions is involved in an R(2) (2)(8) motif, linking the mol-ecules into dimers. These ring motifs are situated about the crystallographic centres of symmetry. C-H?O hydrogen bonds link the dimers into chains running parallel to [11]. Additionally, a weak C-F??-electron ring inter-action was observed in the crystal packing [F?Cg = 3.459?(4)?Å; Cg is the centroid of the pyrimidine ring]. There is also an intra-molecular N-H?Br inter-action in the structure.

SUBMITTER: Li YX

PROVIDER: S-EPMC2970001 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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(RS)-(2-Bromo-4-fluoro-anilino)[2-(4,6-dimethoxy-pyrimidin-2-yl-oxy)phen-yl]acetonitrile.

Li Yuan-Xiang YX

Acta crystallographica. Section E, Structure reports online 20090829 Pt 9

In the title compound, C(20)H(16)BrFN(4)O(3), the pyrimidine and 2-bromo-4-fluoro-phenyl rings are twisted away from the central benzene ring, making dihedral angles of 77.7 (1) and 85.5 (1), respectively. A pair of C-H⋯F inter-actions is involved in an R(2) (2)(8) motif, linking the mol-ecules into dimers. These ring motifs are situated about the crystallographic centres of symmetry. C-H⋯O hydrogen bonds link the dimers into chains running parallel to [11]. Additionally, a weak C-F⋯π-electron r ...[more]

PMID: 21577686

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