Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 3 (March 2005)

organic compounds


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Acta Cryst. (2005). C61, o177-o180    [doi:10.1107/S0108270105001794]

C-halogen...[bold pi] dimer and C-H...[bold pi] interactions in 1-(2-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imidazole-5-carbaldehyde

B. Nagaraj, T. Narasimhamurthy, H. S. Yathirajan, P. Nagaraja, R. S. Narasegowda and R. S. Rathore

Abstract: The structures of the title compounds, C17H20BrClN2O3, (I), and C17H19ClN2O3, (II), are stabilized by intramolecular C-H...O and C-H...[bold pi] interactions. The stability of the molecular packing in (I) and (II) arises from a diverse set of weak intermolecular C-H...O, C-H...[bold pi] and C-halogen...[bold pi] interactions. In the crystal structure of (I), molecules aggregate in dimeric subunits via C-Br...[bold pi] interactions. The dimers are interlinked by C-H...O hydrogen bonds. The halogens cluster together and form a channel along the b axis. In (II), the packing is mainly governed by intermolecular C-H...O and C-H...[bold pi] interactions.

Formula: C17H20BrClN2O3 and C17H19ClN2O3

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