N-[ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide

Nor Wahida Awang, Siti Aishah Hasbullah, Siti Fairus Mohd Yusoff, Bohari Mohd. Yamin

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

In the title compound, C12H15FN2O2S, the molecule adopts a cis configuration of the fluorobenzoyl group with respect to the thiono group about their C - N bond. The dihedral angle between the fluorobenzoyl group and the thiourea N2CS fragment is 69.60(11)°. An intramolecular N - H⋯O hydrogen bond occurs. In the crystal, molecules form chains along the b-axis direction via O - H⋯S and C - H⋯O hydrogen bonds.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume70
Issue number5
DOIs
Publication statusPublished - 2014

Fingerprint

Hydrogen bonds
Thiourea
Molecules
Thioureas
Dihedral angle
hydrogen bonds
thioureas
Crystals
dihedral angle
molecules
fragments
configurations
crystals
Direction compound

Keywords

  • data-to-parameter ratio = 19.6
  • mean σ(C-C) = 0.003 A°
  • R factor = 0.036
  • single-crystal X-ray study
  • T = 296 K
  • wR factor = 0.086

ASJC Scopus subject areas

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

Cite this

N-[ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide. / Awang, Nor Wahida; Hasbullah, Siti Aishah; Mohd Yusoff, Siti Fairus; Mohd. Yamin, Bohari.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 70, No. 5, 2014.

Research output: Contribution to journalArticle

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abstract = "In the title compound, C12H15FN2O2S, the molecule adopts a cis configuration of the fluorobenzoyl group with respect to the thiono group about their C - N bond. The dihedral angle between the fluorobenzoyl group and the thiourea N2CS fragment is 69.60(11)°. An intramolecular N - H⋯O hydrogen bond occurs. In the crystal, molecules form chains along the b-axis direction via O - H⋯S and C - H⋯O hydrogen bonds.",
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T1 - N-[ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide

AU - Awang, Nor Wahida

AU - Hasbullah, Siti Aishah

AU - Mohd Yusoff, Siti Fairus

AU - Mohd. Yamin, Bohari

PY - 2014

Y1 - 2014

N2 - In the title compound, C12H15FN2O2S, the molecule adopts a cis configuration of the fluorobenzoyl group with respect to the thiono group about their C - N bond. The dihedral angle between the fluorobenzoyl group and the thiourea N2CS fragment is 69.60(11)°. An intramolecular N - H⋯O hydrogen bond occurs. In the crystal, molecules form chains along the b-axis direction via O - H⋯S and C - H⋯O hydrogen bonds.

AB - In the title compound, C12H15FN2O2S, the molecule adopts a cis configuration of the fluorobenzoyl group with respect to the thiono group about their C - N bond. The dihedral angle between the fluorobenzoyl group and the thiourea N2CS fragment is 69.60(11)°. An intramolecular N - H⋯O hydrogen bond occurs. In the crystal, molecules form chains along the b-axis direction via O - H⋯S and C - H⋯O hydrogen bonds.

KW - data-to-parameter ratio = 19.6

KW - mean σ(C-C) = 0.003 A°

KW - R factor = 0.036

KW - single-crystal X-ray study

KW - T = 296 K

KW - wR factor = 0.086

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