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2-Carboxyl-atopyridinium-4-nitro-phenol (1/1).

ABSTRACT: In the title 1:1 adduct, C6H5NO3·C6H5NO2, both mol-ecules are almost planar (r.m.s. deviations for the non-H atoms = 0.027 and 0.023?Å for 4-nitro-phenol and 2-carboxyl-atopyridinium, respectively). The pyridine mol-ecule crystallizes as a zwitterion (nominal proton transfer from the carb-oxy-lic acid group to the N atom in the ring). In the crystal, inversion dimers of the zwitterions linked by pairs of N-H?O hydrogen bonds generate R 2 (2)(10) loops; two 4-nitro-phenol mol-ecules link to the dimer by O-H?O hydrogen bonds, generating a four-molecule aggregate. These are linked by C-H?O inter-actions, forming a three-dimensional network.

SUBMITTER: Sankar A

PROVIDER: S-EPMC3998544 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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2-Carboxyl-atopyridinium-4-nitro-phenol (1/1).

Sankar A A Ambalatharasu S S Peramaiyan G G Chakkaravarthi G G Kanagadurai R R

Acta crystallographica. Section E, Structure reports online 20140315 Pt 4

In the title 1:1 adduct, C6H5NO3·C6H5NO2, both mol-ecules are almost planar (r.m.s. deviations for the non-H atoms = 0.027 and 0.023 Å for 4-nitro-phenol and 2-carboxyl-atopyridinium, respectively). The pyridine mol-ecule crystallizes as a zwitterion (nominal proton transfer from the carb-oxy-lic acid group to the N atom in the ring). In the crystal, inversion dimers of the zwitterions linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(10) loops; two 4-nitro-phenol mol-ecules link to the d ...[more]

PMID: 24826152

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