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Proton-bifurcated $C-H{...}(O,O)$ 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 $C-H{...}(O,O)$ hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride. In: Acta Crystallographica Section C: Crystal Structure Communications, 62 (1). o36-o38.


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In the crystal structure of the title salt, $C_{7}H_{7}C_{l2}N_{2}O_{2}^+{\cdot}Cl^-$, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the molecules through multiple $N^+\c-H{...}Cl^-$ salt bridges. There are two independent molecules in the asymmetric unit, related by a pseudo-inversion center. The direct intermolecular, coupling is established by $C-H{...}O,\hspace{5mm}C-H{...}Cl\hspace{5mm}and\hspace{5mm}C-Cl{...}Cl^-$ interactions. A rare three-center (donor bifurcated) $C-H{...}(O,O)$ 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 for this article belongs to Blackwell Publishing.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Depositing User: HS Usha
Date Deposited: 24 Jan 2006
Last Modified: 19 Sep 2010 04:23
URI: http://eprints.iisc.ac.in/id/eprint/5204

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