The asymmetric unit of the title compound, CHNO·0.5HO, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-di-hydro-pyridin-1-yl)meth-yl]carbamo-yl}benzoate zwitterions ( and ) and a water mol-ecule. The dihedral angles between the pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56 (11)° in and , respectively. In the crystal, mol-ecules are linked by N-H⋯O, O-H⋯O, C-H⋯O and C-H⋯π(ring) hydrogen bonds into a three-dimensional network. The crystal structure also features π-π inter-actions involving the centroids of the pyridine and phenyl rings [centroid-centroid distances = 3.5618 (12) Å in and 3.8182 (14) Å in ].
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499261 | PMC |
| http://dx.doi.org/10.1107/S2056989017007836 | DOI Listing |
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