1-(4-Chlorobenzoyl)-3-cyclohexyl-3-methylthiourea

Aisha A. Al-Abbasi, Bohari Mohd. Yamin, Mohammad Kassim

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

In the title compound, C 15H 19ClN 2OS, the dihedral angle between the amide and thio-urea fragments is 58.07 (17)°. The cyclo-hexane group adopts a chair conformation and is twisted relative to the thio-urea fragment, forming a dihedral angle of 87.32 (18)°. In the crystal, N - H⋯S hydrogen bond links the molecules into chains running parallel to the a-axis direction.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number8
DOIs
Publication statusPublished - Aug 2011

Fingerprint

Dihedral angle
ureas
Urea
dihedral angle
fragments
Cyclohexane
Amides
cyclohexane
amides
seats
Conformations
Hydrogen bonds
hydrogen bonds
Crystals
Molecules
crystals
molecules
Direction compound

Keywords

  • data-to-parameter ratio = 17.3
  • mean σ(CC) = 0.007 Å
  • R factor = 0.085
  • single-crystal X-ray study
  • T = 298 K
  • wR factor = 0.192

ASJC Scopus subject areas

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

Cite this

1-(4-Chlorobenzoyl)-3-cyclohexyl-3-methylthiourea. / Al-Abbasi, Aisha A.; Mohd. Yamin, Bohari; Kassim, Mohammad.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 67, No. 8, 08.2011.

Research output: Contribution to journalArticle

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AB - In the title compound, C 15H 19ClN 2OS, the dihedral angle between the amide and thio-urea fragments is 58.07 (17)°. The cyclo-hexane group adopts a chair conformation and is twisted relative to the thio-urea fragment, forming a dihedral angle of 87.32 (18)°. In the crystal, N - H⋯S hydrogen bond links the molecules into chains running parallel to the a-axis direction.

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KW - single-crystal X-ray study

KW - T = 298 K

KW - wR factor = 0.192

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