Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl] benzamide

Syadza Firdausiah, Ameera Aqeela Salleh Huddin, Siti Aishah Hasbullah, Bohari Mohd. Yamin, Siti Fairus Mohd Yusoff

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

In the title compound, C15 11HF2N3O2S, the dihedral angle between the fluorobenzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluorobenzene ring is 50.52 (11)°; the equivalent angle between the carbonylthioamide group and its attached ring is 12.98 (10)°. The major twists in the molecule occur about the C - N - N - C bonds [torsion angle = -138.7 (2)°] and the Car - Car - C - N (ar = aromatic) bonds [-132.0 (2)°]. An intramolecular N - H⋯O hydrogen bond occurs, which generates an S(6) ring. In the crystal, the molecules are linked by N - H⋯O and N - H⋯S hydrogen bonds, generating (001) sheets. Weak C - H⋯O and C - H⋯F interactions are also observed.

Original languageEnglish
Pages (from-to)o915-o916
JournalActa Crystallographica Section E: Structure Reports Online
Volume70
Issue number9
DOIs
Publication statusPublished - 6 Aug 2014

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hydrazine
Fluorobenzenes
Hydrazine
hydrazines
Dihedral angle
Hydrogen bonds
Railroad cars
Crystal structure
crystal structure
Molecules
rings
Amides
Torsional stress
dihedral angle
hydrogen bonds
Crystals
amides
torsion
molecules
benzamide

Keywords

  • crystal structure
  • hydrogen bonds
  • semithiocarbazide

ASJC Scopus subject areas

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

Cite this

Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl] benzamide. / Firdausiah, Syadza; Salleh Huddin, Ameera Aqeela; Hasbullah, Siti Aishah; Mohd. Yamin, Bohari; Mohd Yusoff, Siti Fairus.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 70, No. 9, 06.08.2014, p. o915-o916.

Research output: Contribution to journalArticle

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AU - Firdausiah, Syadza

AU - Salleh Huddin, Ameera Aqeela

AU - Hasbullah, Siti Aishah

AU - Mohd. Yamin, Bohari

AU - Mohd Yusoff, Siti Fairus

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N2 - In the title compound, C15 11HF2N3O2S, the dihedral angle between the fluorobenzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluorobenzene ring is 50.52 (11)°; the equivalent angle between the carbonylthioamide group and its attached ring is 12.98 (10)°. The major twists in the molecule occur about the C - N - N - C bonds [torsion angle = -138.7 (2)°] and the Car - Car - C - N (ar = aromatic) bonds [-132.0 (2)°]. An intramolecular N - H⋯O hydrogen bond occurs, which generates an S(6) ring. In the crystal, the molecules are linked by N - H⋯O and N - H⋯S hydrogen bonds, generating (001) sheets. Weak C - H⋯O and C - H⋯F interactions are also observed.

AB - In the title compound, C15 11HF2N3O2S, the dihedral angle between the fluorobenzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluorobenzene ring is 50.52 (11)°; the equivalent angle between the carbonylthioamide group and its attached ring is 12.98 (10)°. The major twists in the molecule occur about the C - N - N - C bonds [torsion angle = -138.7 (2)°] and the Car - Car - C - N (ar = aromatic) bonds [-132.0 (2)°]. An intramolecular N - H⋯O hydrogen bond occurs, which generates an S(6) ring. In the crystal, the molecules are linked by N - H⋯O and N - H⋯S hydrogen bonds, generating (001) sheets. Weak C - H⋯O and C - H⋯F interactions are also observed.

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