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Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine.

ABSTRACT: The mol-ecular structure of the title compound, C11H15NO2S, features a sulfonamide group with S=O bond lengths of 1.4357?(16) and 1.4349?(16)?Å, an S-N bond length of 1.625?(2)?Å, and an S-C bond length of 1.770?(2)?Å. When viewing the mol-ecule down the S-N bond, both N-C bonds of the pyrrolidine ring are oriented gauche to the S-C bond with torsion angles of -65.6?(2)° and 76.2?(2)°. The crystal structure features both intra- and inter-molecular C-H?O hydrogen bonds, as well as inter-molecular C-H?? and ?-? inter-actions, leading to the formation of sheets parallel to the ac plane.

SUBMITTER: Stenfors BA

PROVIDER: S-EPMC7057365 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine.

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

Acta crystallographica. Section E, Crystallographic communications 20200228 Pt 3

The mol-ecular structure of the title compound, C11H15NO2S, features a sulfonamide group with S=O bond lengths of 1.4357 (16) and 1.4349 (16) Å, an S-N bond length of 1.625 (2) Å, and an S-C bond length of 1.770 (2) Å. When viewing the mol-ecule down the S-N bond, both N-C bonds of the pyrrolidine ring are oriented gauche to the S-C bond with torsion angles of -65.6 (2)° and 76.2 (2)°. The crystal structure features both intra- and inter-molecular C-H⋯O hy ...[more]

PMID: 32148893

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