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Crystal structure of 4-fluoro-N-[2-(4-fluoro-benzo-yl)hydra-zine-1-carbono-thio-yl]benzamide.

ABSTRACT: In the title compound, C15H11F2N3O2S, the dihedral angle between the fluoro-benzene 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 fluoro-benzene ring is 50.52?(11)°; the equivalent angle between the carbonyl-thio-amide group and its attached ring is 12.98?(10)°. The major twists in the mol-ecule 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 intra-molecular N-H?O hydrogen bond occurs, which generates an S(6) ring. In the crystal, the mol-ecules are linked by N-H?O and N-H?S hydrogen bonds, generating (001) sheets. Weak C-H?O and C-H?F inter-actions are also observed.

SUBMITTER: Firdausiah S

PROVIDER: S-EPMC4186173 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 4-fluoro-N-[2-(4-fluoro-benzo-yl)hydra-zine-1-carbono-thio-yl]benzamide.

Firdausiah Syadza S Salleh Huddin Ameera Aqeela AA Hasbullah Siti Aishah SA Yamin Bohari M BM Yusoff Siti Fairus M SF

Acta crystallographica. Section E, Structure reports online 20140801 Pt 9

In the title compound, C15H11F2N3O2S, the dihedral angle between the fluoro-benzene 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 fluoro-benzene ring is 50.52 (11)°; the equivalent angle between the carbonyl-thio-amide group and its attached ring is 12.98 (10)°. The major twists in the mol-ecule occur about the C-N-N-C bonds [torsion angle = -138.7 (2)°] and the Car-Car-C-N (ar = aromatic) bond ...[more]

PMID: 25309250

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