CRYSTAL STRUCTURE OF N-(p-METHYLBENZYLIDENE)-p-BROMOANILINE
L. Jothi1, G. Anuradha2, G. Vasuki2, Babu R. Ramesh3, K. Ramamurthi4
1NKR Government Arts College for Women, Namakkal, India
2Kunthavai Naachiar Government Arts College, Thanjavur, India
3Bharathidasan University, Tiruchirappalli, India
4SRM University Kattankulathur, Kanchipuram, India
Keywords: synthesis, crystal structure, benzylidene, aniline, hydrogen bonding
Abstract
The asymmetric unit of the title compound C14H12BrN (systematic name (E-N-(4-bromophenyl)-1-(p-tolyl)methanimine) contains one half-molecule: a crystallographic center of inversion is located at the midpoint of the bridging N=C bond. The central HC=N unit makes dihedral angles of 15.7(3)° and 15.2(4)° with bromobenzene and methylbenzene ring systems, respectively. The C and N atoms of the HC=N central unit are disordered over two sites in a 50:50 ratio. The Br atom of the 4-bromoaniline ring and the methyl atom of the 4-methylbenzilidene ring systems are also 50 % disordered. In the crystal, molecules are linked by C-H⋯π interactions forming slabs parallel to the bc plane. The atomic coordinates are not available for the previously reported crystal structure of the title compound: CSD refcode MBZCLE. The reported R factor of 0.103 for the analysis in the space group P21/a is much higher than in the present analysis, which gives 0.033 in the space group P21/c.
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