4-Aminobenzoic acid 4-methylpyridine/4-methylpyridinium 4-aminobenzoate 0.58/0.42: a redetermination from the original data
نویسنده
چکیده
The title structure, 4-amino-benzoic acid 4-methyl-pyridine/4-methyl-pyridinium 4-amino-benzoate 0.58/0.42, 0.58(C6H7N·C7H7NO2)·0.42(C6H8N+·C7H6NO2-), has been redetermined from the data published by Kumar et al. (2015 ▸). Acta Cryst. E71, o125-o126. The improvement of the present redetermination consists in the introduction of disorder of the methyl group over two positions as well as in the correction of the positional parameters of the hydrogen atoms that are involved in the O-H⋯N or N-H⋯O hydrogen bonds. After the correction, the hydroxyl hydrogen atom turned out to be disordered over two positions about the centre of the O⋯N bond, which is relatively long [2.642 (2) Å], while the H atoms of the primary amine group account more realistically for the hydrogen-bond pattern after the removal of the positional constraints. All the O-H⋯N or N-H⋯O hydrogen bonds which are present in the title structure are of moderate strength.
منابع مشابه
Crystal structure of 4-aminobenzoic acid–4-methylpyridine (1/1)
In the title 1:1 adduct, C6H7N·C7H7NO2, the carb-oxy-lic acid group is twisted at an angle of 4.32 (18)° with respect to the attached benzene ring. In the crystal, the carb-oxy-lic acid group is linked to the pyridine ring by an O-H⋯N hydrogen bond, forming a dimer. The dimers are linked by N-H⋯O hydrogen bonds, generating (010) sheets.
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The title structure, C6H9.5N3O2 (0.5+)·C7H6.5NO2 (0.5-), which might be named schematically as 2-amino-4,6-di-meth-oxy-pyrimidine-(μ2-hydrogen)-4-amino-benzoate to indicate a bridging H atom, has been redetermined from the data published by Thanigaimani, Mu-thiah & Lynch [Acta Cryst. (2006), E62, o2976-o2978]. The improvement of the present redetermination consists in a released geometry of the...
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