2-Hydroxy-3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-4-yl)-benzoate monohydrate

The title molecule, C(13)H(13)N(3)O(3).H(2)O, is in the form of a monohydrated zwitterion. The tetrahydropyridinium ring adopts an envelope conformation and is nearly coplanar with the plane of the imidazoline ring. The water solvate molecule plays an important role as a bridge between zwitterions,...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2002-12, Vol.58 (Pt 12), p.o724-o726
Hauptverfasser: USMAN, Anwar, NAYAR, Chandini R, UNNIKRISHNAN, P. A, SREEJA, P. B, PRATHAPACHANDRA KURUPB, M. R, FUN, Hoong-Kun
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Sprache:eng
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Zusammenfassung:The title molecule, C(13)H(13)N(3)O(3).H(2)O, is in the form of a monohydrated zwitterion. The tetrahydropyridinium ring adopts an envelope conformation and is nearly coplanar with the plane of the imidazoline ring. The water solvate molecule plays an important role as a bridge between zwitterions, forming molecular chains running along the c direction, which are interconnected by N-H.O hydrogen bonds into molecular ribbons. The crystal packing is further stabilized by another N-H.O and one O-H.N hydrogen bond, which interconnect the molecular ribbons.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270102020371