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4-Iodo-N-(phenylsulfonyl)benzamide hemihydrate

P.A. Suchetan, A. Sudha, E. Suresha, N.K. Lokanath, S. Naveen, Ismail Warad

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Abstract

In the title hemihydrate, 2C13H10INO3S·H2O, there are two organic molecules (AandB) and one water molecule in the asymmetric unit. The benzene rings are inclined to one another by 77.98 (1)° inAand 79.81 (9)° inB. TheAandBmolecules are connected through a water moleculeviaN—H...O and O—H...O hydrogen bonds. In the extended structure, theAmolecules are interlinkedviatwo water molecules through O—H...O hydrogen bonds to generateR44(12) loops. Further, theAandBmolecules are linked by N—H...O hydrogen bonds, and thus an [010] chain is formed. Several C—H...O interactions extend the chains into sheet lying parallel to theab-plane. The sheets are further extended into a three dimensional architectureviaa C—H...π interaction.

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In the title hemihydrate, 2C13H10INO3S·H2O, there are two organic molecules (AandB) and one water molecule in the asymmetric unit. The benzene rings are inclined to one another by 77.98 (1)° inAand 79.81 (9)° inB. TheAandBmolecules are connected through a water moleculeviaN—H...O and O—H...O hydrogen bonds. In the extended structure, theAmolecules are interlinkedviatwo water molecules through O—H...O hydrogen bonds to generateR44(12) loops. Further, theAandBmolecules are linked by N—H...O hydrogen bonds, and thus an [010] chain is formed. Several C—H...O interactions extend the chains into sheet lying parallel to theab-plane. The sheets are further extended into a three dimensional architectureviaa C—H...π interaction.

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Available abstract

In the title hemihydrate, 2C13H10INO3S·H2O, there are two organic molecules (AandB) and one water molecule in the asymmetric unit. The benzene rings are inclined to one another by 77.98 (1)° inAand 79.81 (9)° inB. TheAandBmolecules are connected through a water moleculeviaN—H...O and O—H...O hydrogen bonds. In the extended structure, theAmolecules are interlinkedviatwo water molecules through O—H...O hydrogen bonds to generateR44(12) loops. Further, theAandBmolecules are linked by N—H...O hydrogen bonds, and thus an [010] chain is formed. Several C—H...O interactions extend the chains into sheet lying parallel to theab-plane. The sheets are further extended into a three dimensional architectureviaa C—H...π interaction.

Key concepts: Hydrogen bond, Chemistry, Molecule, Hemihydrate, Benzamide, Crystal structure, Crystallography, Benzene

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