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Proton-bifurcated C-H center dot center dot center dot(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride

Rathore, RS and Narasimhamurthy, T and Vijay, T and Yathirajan, HS and Nagaraja, P (2006) Proton-bifurcated C-H center dot center dot center dot(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride. In: Acta Crystallographica Section C Crystal Structure Communications, 62 (Part 1). O36-O38.

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Abstract

In the crystal structure of the title salt, C7H7Cl2N2O2+ center dot Cl-, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the molecules through multiple N+-H center dot center dot center dot Cl- salt bridges. There are two independent molecules in the asymmetric unit, related by a pseudo-inversion center. The direct intermolecular coupling is established by C-H center dot center dot center dot O, C-H center dot center dot center dot Cl and C-Cl center dot center dot center dot Cl- interactions. A rare three-center (donor bifurcated) C-H center dot center dot center dot (O,O) hydrogen bond is observed between the methylene and nitro groups, with a side-on intramolecular component of closed-ring type and a head-on intermolecular component.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 20 Oct 2010 04:59
Last Modified: 20 Oct 2010 04:59
URI: http://eprints.iisc.ernet.in/id/eprint/32901

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