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4-Bromo-3-{N-[2-(3,4-dimethoxy-phen-yl)eth-yl]-N-methyl-sulfamo-yl}-5-methyl-benzoic acid monohydrate.

ABSTRACT: In the title compound, C(19)H(22)BrNO(6)S·H(2)O, the dihedral angle between the planes of the two benzene rings is 3.1?(1)°. These rings are stacked over one another with their centroids separated by 3.769?(2)?Å, indicating weak ?-? inter-actions. In the crystal structure, mol-ecules are linked by O-H?O and O-H?(O,O) hydrogen bonds involving the water mol-ecule, forming a two-dimensional network parallel to (001).

SUBMITTER: Babu CS

PROVIDER: S-EPMC2969419 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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4-Bromo-3-{N-[2-(3,4-dimethoxy-phen-yl)eth-yl]-N-methyl-sulfamo-yl}-5-methyl-benzoic acid monohydrate.

Babu C Suneel Manohar CS Kavitha Helen P HP Vennila Jasmine P JP Chakkaravarthi G G Manivannan V V

Acta crystallographica. Section E, Structure reports online 20090613 Pt 7

In the title compound, C(19)H(22)BrNO(6)S·H(2)O, the dihedral angle between the planes of the two benzene rings is 3.1 (1)°. These rings are stacked over one another with their centroids separated by 3.769 (2) Å, indicating weak π-π inter-actions. In the crystal structure, mol-ecules are linked by O-H⋯O and O-H⋯(O,O) hydrogen bonds involving the water mol-ecule, forming a two-dimensional network parallel to (001). ...[more]

PMID: 21582848

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