2-chlorophenyl 4-toluenesulfonate

Molecular aggregration through weak C - H⋯O interactions

Nagarajan Vembu, Maruthai Nallu, Jered C Garrison, Wiley J. Youngs

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

The title molecule, C13H11ClO3S, is stabilized by weak C - H⋯O interactions. The dihedral angle between the mean planes of the 4-tolyl and the 2-chlorophenyl rings is 51.47 (9)°. Both the sulfonyl O atoms form a three-centred symmetrical hydrogen-bonded chelate motif with an H atom of the neighbouring 2-chlorophenyl ring. In addition, two of the sulfonyl O atoms form two other weak hydrogen bonds with the H atoms of the 4-tolyl rings of two different neighbouring molecules.

Original languageEnglish (US)
JournalActa Crystallographica Section E: Structure Reports Online
Volume59
Issue number4
DOIs
StatePublished - Apr 1 2003

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Hydrogen
Atoms
atoms
rings
interactions
Molecules
Dihedral angle
chelates
dihedral angle
molecules
Hydrogen bonds
hydrogen bonds
hydrogen

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Structural Biology

Cite this

2-chlorophenyl 4-toluenesulfonate : Molecular aggregration through weak C - H⋯O interactions. / Vembu, Nagarajan; Nallu, Maruthai; Garrison, Jered C; Youngs, Wiley J.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 59, No. 4, 01.04.2003.

Research output: Contribution to journalArticle

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AB - The title molecule, C13H11ClO3S, is stabilized by weak C - H⋯O interactions. The dihedral angle between the mean planes of the 4-tolyl and the 2-chlorophenyl rings is 51.47 (9)°. Both the sulfonyl O atoms form a three-centred symmetrical hydrogen-bonded chelate motif with an H atom of the neighbouring 2-chlorophenyl ring. In addition, two of the sulfonyl O atoms form two other weak hydrogen bonds with the H atoms of the 4-tolyl rings of two different neighbouring molecules.

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