The crystal structure of zwitterionic 2-{[(4-imin­iumyl-3-methyl-1,4-di­hydro­pyridin-1-yl)meth­yl]carbamo­yl}benzoate hemihydrate
Publication Type
Original research
Authors

The asymmetric unit of the title compound, C15H15N3O30.5H2O, comprises two
2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate
zwitterions (A and B) and a water molecule. The dihedral angles between the
pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56 (11) in A
and B, respectively. In the crystal, molecules are linked by N—H  O, O—
H  O, C—H  O and C—H  (ring) hydrogen bonds into a three-dimensional
network. The crystal structure also features – interactions involving
the centroids of the pyridine and phenyl rings [centroid–centroid distances =
3.5618 (12) A ° in A and 3.8182 (14) A ° in B].

Journal
Title
Acta Crystallographica Section E
Publisher
International Union of Crystallography
Publisher Country
Palestine
Publication Type
Prtinted only
Volume
73
Year
2017
Pages
927-931