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C-halogen...\pi dimer and C-H...\pi interactions in 1-(2-bromo-4,5-di-methoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imida-zole-5-carbaldehyde

Nagaraj, B and Narasimhamurthy, T and Yathirajan, HS and Nagaraja, P and Narasegowda, RS and Rathore, Ravindranath S (2005) C-halogen...\pi dimer and C-H...\pi interactions in 1-(2-bromo-4,5-di-methoxybenzyl)-2-butyl-4-chloro-1H-imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzodioxol-5-ylmethyl)-1H-imida-zole-5-carbaldehyde. In: Acta Crystallographica Section C: Crystal Structure Communications, C61 . o177-o180.

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Abstract

The structures of the title compounds, $C_{17}H_{20}BrClN_{2}O_{3}$, (I),and $C_{17}H_{19}ClN_{2}O_{3}$, (II), are stabilized by intramolecular C-H...O and C-H...\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...\pi and C-halogen...\pi interactions. In the crystal structure of (I),molecules aggregate in dimeric subunits via C-Br...\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...\pi interactions.

Item Type: Journal Article
Additional Information: Copyright for this article belongs to Blackwell Publishing.
Department/Centre: Division of Information Sciences > BioInformatics Centre
Date Deposited: 28 Apr 2006
Last Modified: 19 Sep 2010 04:23
URI: http://eprints.iisc.ernet.in/id/eprint/5169

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