3-Amino-2-methyl-4-oxo-3,4-dihydro­quinazolin-1-ium p-toluene­sulfonate monohydrate

In the title hydrated mol­ecular salt, C(9)H(10)N(3)O(+)·C(7)H(7)O(3)S(−)·H(2)O, the cation is protonated at a quinazolinone N atom and an intra­molecular N—H⋯O hydrogen bond occurs. In the crystal structure, inter­molecular N—H⋯O and O—H⋯O hydrogen bonds and C—H⋯O, C—H⋯π and weak aromatic π–π stack...

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Detalles Bibliográficos
Autores principales: Arfan, Mohammad, Tahir, M. Nawaz, Khan, Rasool, Iqbal, Mohammad S.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977733/
https://www.ncbi.nlm.nih.gov/pubmed/21583869
http://dx.doi.org/10.1107/S1600536809013841
Descripción
Sumario:In the title hydrated mol­ecular salt, C(9)H(10)N(3)O(+)·C(7)H(7)O(3)S(−)·H(2)O, the cation is protonated at a quinazolinone N atom and an intra­molecular N—H⋯O hydrogen bond occurs. In the crystal structure, inter­molecular N—H⋯O and O—H⋯O hydrogen bonds and C—H⋯O, C—H⋯π and weak aromatic π–π stacking inter­actions [centroid–centroid separations = 3.8648 (12) and 3.9306 (13) Å] help to establish the packing; a short S=O⋯π contact is also seen.

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