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Crystal structure of N,N-diisopropyl-4-methyl-benzene-sulfonamide.

ABSTRACT: The synthesis of the title compound, C13H21NO2S, is reported here along with its crystal structure. This compound crystallizes with two mol-ecules in the asymmetric unit. The sulfonamide functional group of this structure features S=O bond lengths ranging from 1.433?(3) to 1.439?(3)?Å, S-C bond lengths of 1.777?(3) and 1.773?(4)?Å, and S-N bond lengths of 1.622?(3) and 1.624?(3)?Å. When viewing the mol-ecules down the S-N bond, the isopropyl groups are gauche to the aromatic ring. On each mol-ecule, two methyl hydrogen atoms of one isopropyl group are engaged in intra-molecular C-H?O hydrogen bonds with a nearby sulfonamide oxygen atom. Inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions link mol-ecules of the title compound in the solid state.

SUBMITTER: Stenfors BA

PROVIDER: S-EPMC7336799 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of N,N-diisopropyl-4-methyl-benzene-sulfonamide.

Stenfors Brock A BA Staples Richard J RJ Biros Shannon M SM Ngassa Felix N FN

Acta crystallographica. Section E, Crystallographic communications 20200605 Pt 7

The synthesis of the title compound, C13H21NO2S, is reported here along with its crystal structure. This compound crystallizes with two mol-ecules in the asymmetric unit. The sulfonamide functional group of this structure features S=O bond lengths ranging from 1.433 (3) to 1.439 (3) Å, S-C bond lengths of 1.777 (3) and 1.773 (4) Å, and S-N bond lengths of 1.622 (3) and 1.624 (3) Å. When viewing the mol-ecules down the S-N bond, the isopropyl groups are gauche< ...[more]

PMID: 32695444

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