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1-(4-Nitro-phen-yl)-1H-imidazol-3-ium chloride.


ABSTRACT: In the title salt, C9H8N3O2(+)·Cl(-), the least-squares planes of the imidazolium and benzene rings are almost coplanar, making a dihedral angle of 4.59?(1)°. In the crystal, the chloride anion links the organic mol-ecules through N-H?Cl hydrogen bonds, forming chains that run diagonally across the bc face, which compliment strong C-H?O hydrogen bonds between neighbouring mol-ecules. These chains are connected to adjacent chains through two weak C-H?Cl inter-actions, resulting in hydrogen-bonded sheets extending along the b and c axes. The absolute structure of the title compound was determined using a Flack x parameter of 0.00?(6) and a Hooft y parameter of 0.03?(2).

SUBMITTER: Ibrahim H 

PROVIDER: S-EPMC3588291 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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1-(4-Nitro-phen-yl)-1H-imidazol-3-ium chloride.

Ibrahim Halliru H   Bala Muhammad D MD  

Acta crystallographica. Section E, Structure reports online 20121219 Pt 1


In the title salt, C9H8N3O2(+)·Cl(-), the least-squares planes of the imidazolium and benzene rings are almost coplanar, making a dihedral angle of 4.59 (1)°. In the crystal, the chloride anion links the organic mol-ecules through N-H⋯Cl hydrogen bonds, forming chains that run diagonally across the bc face, which compliment strong C-H⋯O hydrogen bonds between neighbouring mol-ecules. These chains are connected to adjacent chains through two weak C-H⋯Cl inter-actions, resulting in hydrogen-bonded  ...[more]

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