Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 9 (September 2004)

de1245 scheme

Acta Cryst. (2004). C60, o693-o695 [doi:10.1107/S0108270104017871]

C-H, - and C-HCl interactions in chloro-substituted Schiff bases and 4-chloro-N-[4-(dimethylamino)benzylidene]aniline

X.-L. You, C.-R. Lu, Y. Zhang and D.-C. Zhang

Abstract: Molecular packing analyses were carried out on 15 crystal data sets of chloro-substituted Schiff bases, including that of the title compound, C₁₅H₁₅ClN₂. C-H [bold pi] and - interactions play a major role in the molecular self-assembly in the crystal. The former interactions favor molecules assembling into a screw, with a non-centrosymmetric crystal structure. When the molecular dipole is small, - interactions favor a parallel, but not usually antiparallel, mode of packing. Weak C-HX hydrogen bonds (X = Cl or Br) and XX interactions seem to be a secondary driving force in packing. The title molecule takes the trans form and the two benzene rings are twisted around the central linkage in opposite directions. In the crystal structure, molecules interact through C-H [bold pi] and - interactions, forming a `dimer' and further forming double chains along [001]. The double chains are extended along [10 $\overline 1$ ] through C-HCl hydrogen bonds, forming double layers in (010). In the third direction, there are only ordinary, weaker, van der Waals interactions, which explains the crystal habit (i.e. thin plate).

Formula: C₁₅H₁₅ClN₂

Online 21 August 2004


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