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3-Amino-2-methyl-4-oxo-3,4-dihydro-quinazolin-1-ium p-toluene-sulfonate monohydrate.

ABSTRACT: In the title hydrated mol-ecular 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 intra-molecular N-H?O hydrogen bond occurs. In the crystal structure, inter-molecular N-H?O and O-H?O hydrogen bonds and C-H?O, C-H?? and weak aromatic ?-? stacking inter-actions [centroid-centroid separations = 3.8648?(12) and 3.9306?(13)?Å] help to establish the packing; a short S=O?? contact is also seen.

SUBMITTER: Arfan M

PROVIDER: S-EPMC2977733 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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3-Amino-2-methyl-4-oxo-3,4-dihydro-quinazolin-1-ium p-toluene-sulfonate monohydrate.

Arfan Mohammad M Tahir M Nawaz MN Khan Rasool R Iqbal Mohammad S MS

Acta crystallographica. Section E, Structure reports online 20090418 Pt 5

In the title hydrated mol-ecular 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 intra-molecular N-H⋯O hydrogen bond occurs. In the crystal structure, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds and C-H⋯O, C-H⋯π and weak aromatic π-π stacking inter-actions [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. ...[more]

PMID: 21583869

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