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4-(2-Iodo-benzene-sulfonamido)benzoic acid monohydrate.


ABSTRACT: In the mol-ecule of the title compound, C(13)H(10)INO(4)S·H(2)O, the coordination around the S atom is distorted tetra-hedral. The aromatic rings are oriented at a dihedral angle of 74.18?(17)°. Intra-molecular C-H?O hydrogen bonds result in the formation of non-planar five- and six-membered rings, which adopt envelope and twist conformations, respectively. In the crystal structure, inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds link the mol-ecules. ?-? Contacts between the phenyl rings [centroid-centroid distance = 3.726?(3)?Å] may further stabilize the structure. There is also a C-H?? inter-action.

SUBMITTER: Arshad MN 

PROVIDER: S-EPMC2968366 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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4-(2-Iodo-benzene-sulfonamido)benzoic acid monohydrate.

Arshad Muhammad Nadeem MN   Tahir M Nawaz MN   Khan Islam Ullah IU   Siddiqui Waseeq Ahmad WA   Shafiq Muhammad M  

Acta crystallographica. Section E, Structure reports online 20090108 Pt 2


In the mol-ecule of the title compound, C(13)H(10)INO(4)S·H(2)O, the coordination around the S atom is distorted tetra-hedral. The aromatic rings are oriented at a dihedral angle of 74.18 (17)°. Intra-molecular C-H⋯O hydrogen bonds result in the formation of non-planar five- and six-membered rings, which adopt envelope and twist conformations, respectively. In the crystal structure, inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules. π-π Contacts between the phenyl rings [  ...[more]

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