N-(3-Chloropropionyl)-N'-phenylthiourea

Eliyanti A. Othman, Siti K C Soh, Bohari Mohd. Yamin

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

The title compound, C10H11ClN2OS, adopts a cis-trans configuration with respect to the position of the phenyl and 3-chloro-propionyl groups relative to the thiono group across the C - N bonds. The benzene ring is perpendicular to the propionyl thio-urea fragment with a dihedral angle of 82.62 (10)°. An intra-molecular N - H⋯O inter-action occurs. The crystal structure is stabilized by inter-molecular N - H⋯S hydrogen bonds, which link pairs of mol-ecules, building up R 2 2(8) ring motifs, and C - H. π inter-actions.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume66
Issue number3
DOIs
Publication statusPublished - 2010

Fingerprint

Phenylthiourea
Dihedral angle
Benzene
Urea
Hydrogen bonds
Crystal structure
rings
ureas
dihedral angle
benzene
fragments
hydrogen bonds
crystal structure
configurations

Keywords

  • Data-to-parameter ratio = 15.5
  • Mean σ(C-C) = 0.004 Å
  • R factor = 0.041
  • Single-crystal X-ray study
  • T = 298 K
  • WR factor = 0.113

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

N-(3-Chloropropionyl)-N'-phenylthiourea. / Othman, Eliyanti A.; Soh, Siti K C; Mohd. Yamin, Bohari.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 66, No. 3, 2010.

Research output: Contribution to journalArticle

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AU - Soh, Siti K C

AU - Mohd. Yamin, Bohari

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N2 - The title compound, C10H11ClN2OS, adopts a cis-trans configuration with respect to the position of the phenyl and 3-chloro-propionyl groups relative to the thiono group across the C - N bonds. The benzene ring is perpendicular to the propionyl thio-urea fragment with a dihedral angle of 82.62 (10)°. An intra-molecular N - H⋯O inter-action occurs. The crystal structure is stabilized by inter-molecular N - H⋯S hydrogen bonds, which link pairs of mol-ecules, building up R 2 2(8) ring motifs, and C - H. π inter-actions.

AB - The title compound, C10H11ClN2OS, adopts a cis-trans configuration with respect to the position of the phenyl and 3-chloro-propionyl groups relative to the thiono group across the C - N bonds. The benzene ring is perpendicular to the propionyl thio-urea fragment with a dihedral angle of 82.62 (10)°. An intra-molecular N - H⋯O inter-action occurs. The crystal structure is stabilized by inter-molecular N - H⋯S hydrogen bonds, which link pairs of mol-ecules, building up R 2 2(8) ring motifs, and C - H. π inter-actions.

KW - Data-to-parameter ratio = 15.5

KW - Mean σ(C-C) = 0.004 Å

KW - R factor = 0.041

KW - Single-crystal X-ray study

KW - T = 298 K

KW - WR factor = 0.113

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