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3-Ammonio-4-hydroxy-benzoate monohydrate.

ABSTRACT: The title compound, C(7)H(7)NO(3)·H(2)O, which crystallized as a hydrate, was obtained from an extraction of the plant species Saussurea atkinsonii of the asteraceae family collected from the hilly area (Ayubia) of Pakistan during the flowering season. The dihedral angle between the benzene ring and the carboxyl-ate group is 25.64?(5)°. In the crystal, the packing is consolidated by N-H?O and O-H?O hydrogen bonds, as well as weak aromatic ?-? stacking [centroid-centroid separation = 3.9365?(9)?Å] and C=O?? inter-actions.

SUBMITTER: Ullah S

PROVIDER: S-EPMC2969601 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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3-Ammonio-4-hydroxy-benzoate monohydrate.

Ullah Sami S Tahir M Nawaz MN Shahwar Durre D Khan Zaheer-Ud-Din ZU Khan Muhammad Akmal MA

Acta crystallographica. Section E, Structure reports online 20090514 Pt 6

The title compound, C(7)H(7)NO(3)·H(2)O, which crystallized as a hydrate, was obtained from an extraction of the plant species Saussurea atkinsonii of the asteraceae family collected from the hilly area (Ayubia) of Pakistan during the flowering season. The dihedral angle between the benzene ring and the carboxyl-ate group is 25.64 (5)°. In the crystal, the packing is consolidated by N-H⋯O and O-H⋯O hydrogen bonds, as well as weak aromatic π-π stacking [centroid-centroid separation = 3.9365 (9) Å ...[more]

PMID: 21583161

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