1-[2-(Benzylamino)-4-pyridyl]-2-(4-fluorophenyl)ethane-1,2-dione

Hartmut Jahns,Dieter Schollmeyer,Stefan Laufer,Pierre Koch

doi:10.1107/s1600536809019801

Abstract

The crystal structure of the title compound, C20H15FN2O2, contains two crystallographically independent molecules, which are related by a pseudo-inversion center and linked into dimers via intermolecular N—H⋯N hydrogen bonds. The 4-fluorophenyl ring of molecule A makes dihedral angles of 17.17 (16) and 62.25 (15)°, respectively, with the phenyl and pyridine rings. The 4-fluorophenyl ring of molecule B makes dihedral angles of 8.50 (16) and 64.59 (15)°, respectively, with the phenyl and pyridine rings. The dihedral angle between the pyridine ring and the phenyl ring of molecule A [60.97 (15)°] is bigger than in molecule B [59.49 (15)°]. The dihedral angle between the two pyridine rings is 1.37 (14)° and between the two phenyl rings is 3.64 (16)°.

Highlights

The crystal structure of the title compound, C20H15FN2O2, contains two crystallographically independent molecules, which are related by a pseudo-inversion center and linked into dimers via intermolecular N—H N hydrogen bonds
Crystals of the title compound suitable for X-ray diffraction were obtained by slow evaporation of a solution of the solid in ethyl acetate at 298 K
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

Summary

Data collection

The 4-fluorophenyl ring of molecule B makes dihedral angles of 8.50 (16) and 64.59 (15) , respectively, with the phenyl and pyridine rings. The dihedral angle between the pyridine ring and the phenyl ring of molecule A [60.97 (15) ] is bigger than in molecule B [59.49 (15) ]. The dihedral angle between the two pyridine rings is 1.37 (14) and between the two phenyl rings is 3.64 (16). 1971); program(s) used to solve structure: SIR97 (Altomare et al, 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: PLATON.

Related literature

Crystal data

Findings

Special details