Crystal structure of N-(3-chloropropionyl)-N′-(4-fluorophenyl)thiourea

Nur Liyana Ismail, Bohari Mohd. Yamin

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The reaction of 3-chloropropionyl chloride with ammonium thiocyanate and 4-fluoroaniline in acetone gave N-(3-chloropropionyl)-N′-(4-fluorophenyl)thiourea. The compound crystallized in the triclinic system with space group P1, a = 5.4651(12)Å, b = 9.033(2)Å, c = 11.894(3)Å, α = 99.814(3)°, β = 93.225(3)°, γ = 94.621(4), volume = 575.2(2)Å3 and Z = 2. The molecule is not planar, and possesses a trans-cis configuration with respect to the position of the propionyl and 4-fluorophenyl groups relative to the thiono sulphur atom across their C-N bonds, respectively. The molecule is stabilized by N-H···O and N-H···S hydrogen bonds and a C-H···π interaction. 2009

Original languageEnglish
Pages (from-to)39-40
Number of pages2
JournalX-ray Structure Analysis Online
Volume25
Issue number4
Publication statusPublished - Apr 2009

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Thiourea
Thioureas
Crystal structure
Molecules
Acetone
Sulfur
Chlorides
Hydrogen bonds
Atoms
thiocyanic acid
4-fluoroaniline

ASJC Scopus subject areas

  • Analytical Chemistry
  • Materials Chemistry

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Crystal structure of N-(3-chloropropionyl)-N′-(4-fluorophenyl)thiourea. / Ismail, Nur Liyana; Mohd. Yamin, Bohari.

In: X-ray Structure Analysis Online, Vol. 25, No. 4, 04.2009, p. 39-40.

Research output: Contribution to journalArticle

Ismail, Nur Liyana ; Mohd. Yamin, Bohari. / Crystal structure of N-(3-chloropropionyl)-N′-(4-fluorophenyl)thiourea. In: X-ray Structure Analysis Online. 2009 ; Vol. 25, No. 4. pp. 39-40.
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