Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 1 (January 2006)

organic compounds

av1275 scheme

Acta Cryst. (2006). C62, o36-o38 [ doi:10.1107/S0108270105038114 ]

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

R. S. Rathore, T. Narasimhamurthy, T. Vijay, H. S. Yathirajan and P. Nagaraja

Abstract: In the crystal structure of the title salt, C₇H₇Cl₂N₂O₂⁺·Cl^-, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the molecules through multiple N⁺-HCl^- 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-HO, C-HCl and C-ClCl^- 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.

Formula: C₇H₇Cl₂N₂O₂⁺·Cl^-


	Portable Document Format (PDF) file (187.7 kbytes) [ doi:10.1107/S0108270105038114/av1275Isup3.pdf ] Supplementary material

	Portable Document Format (PDF) file (209.6 kbytes) [ doi:10.1107/S0108270105038114/av1275Isup4.pdf ] Supplementary material

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