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2-Nitro-N-(4-pyridinio)benzene-sulfonamidate monohydrate.

ABSTRACT: The title compound, C(11)H(9)N(3)O(4)S·H(2)O, contains both an acid and a base centre and displays a zwitterionic structure. There are two independent mol-ecules and two water mol-ecules in the asymmetric unit. The dihedral angles between the benzene ring and the pyridinium ring are 109.7?(1) and 110.7?(1)°. The dihedral angles between the nitro group and the benzene ring are 116.1?(2) and 116.7?(1)°. The crystal structure is stabilized by N-H?O, O-H?N and O-H?O hydrogen bonds.

SUBMITTER: Hu LB

PROVIDER: S-EPMC2959804 | biostudies-other | 2008 Nov

REPOSITORIES: biostudies-other

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2-Nitro-N-(4-pyridinio)benzene-sulfonamidate monohydrate.

Hu Liang-Bin LB Chen Jian J Liu Chang-Zhong CZ

Acta crystallographica. Section E, Structure reports online 20081108 Pt 12

The title compound, C(11)H(9)N(3)O(4)S·H(2)O, contains both an acid and a base centre and displays a zwitterionic structure. There are two independent mol-ecules and two water mol-ecules in the asymmetric unit. The dihedral angles between the benzene ring and the pyridinium ring are 109.7 (1) and 110.7 (1)°. The dihedral angles between the nitro group and the benzene ring are 116.1 (2) and 116.7 (1)°. The crystal structure is stabilized by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds. ...[more]

PMID: 21581257

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