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1-[3,5-Bis(trifluoro-meth-yl)phen-yl]-3-(2-pyrid-yl)thio-urea.

Yue H, Wang Y, Xia A, Luo S, Xu D - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The pyridine N atom allows for the formation of a six-membered N-H⋯N(py) hydrogen-bonded ring, thus forcing the two amide H atoms of the thio-urea group to point in opposite directions.The second N-H group forms an inter-molecular N-H⋯S hydrogen bond with the S atom of an adjacent mol-ecule.The F atoms of the two trifluoro-methyl groups display rotational disorder around the C-CF(3) axis, with an occupancy ratio of 0.54 (1):0.46 (1).

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Affiliation: State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, Zhejiang University of Technology, Hangzhou 310014, People's Republic of China.

ABSTRACT
The title compound, C(14)H(9)F(6)N(3)S, exhibits a nearly planar conformation in the solid state, with a dihedral angle between the planes of the benzene and pyridine rings of 14.86 (3)°. The pyridine N atom allows for the formation of a six-membered N-H⋯N(py) hydrogen-bonded ring, thus forcing the two amide H atoms of the thio-urea group to point in opposite directions. The second N-H group forms an inter-molecular N-H⋯S hydrogen bond with the S atom of an adjacent mol-ecule. The F atoms of the two trifluoro-methyl groups display rotational disorder around the C-CF(3) axis, with an occupancy ratio of 0.54 (1):0.46 (1).

No MeSH data available.


The molecular packing of the title compound showing the intermolecular N—H···S and C—H···S hydrogen-bonding interactions (dashed lines).
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Fap2: The molecular packing of the title compound showing the intermolecular N—H···S and C—H···S hydrogen-bonding interactions (dashed lines).


1-[3,5-Bis(trifluoro-meth-yl)phen-yl]-3-(2-pyrid-yl)thio-urea.

Yue H, Wang Y, Xia A, Luo S, Xu D - Acta Crystallogr Sect E Struct Rep Online (2008)

The molecular packing of the title compound showing the intermolecular N—H···S and C—H···S hydrogen-bonding interactions (dashed lines).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961226&req=5

Fap2: The molecular packing of the title compound showing the intermolecular N—H···S and C—H···S hydrogen-bonding interactions (dashed lines).
Bottom Line: The pyridine N atom allows for the formation of a six-membered N-H⋯N(py) hydrogen-bonded ring, thus forcing the two amide H atoms of the thio-urea group to point in opposite directions.The second N-H group forms an inter-molecular N-H⋯S hydrogen bond with the S atom of an adjacent mol-ecule.The F atoms of the two trifluoro-methyl groups display rotational disorder around the C-CF(3) axis, with an occupancy ratio of 0.54 (1):0.46 (1).

View Article: PubMed Central - HTML - PubMed

Affiliation: State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, Zhejiang University of Technology, Hangzhou 310014, People's Republic of China.

ABSTRACT
The title compound, C(14)H(9)F(6)N(3)S, exhibits a nearly planar conformation in the solid state, with a dihedral angle between the planes of the benzene and pyridine rings of 14.86 (3)°. The pyridine N atom allows for the formation of a six-membered N-H⋯N(py) hydrogen-bonded ring, thus forcing the two amide H atoms of the thio-urea group to point in opposite directions. The second N-H group forms an inter-molecular N-H⋯S hydrogen bond with the S atom of an adjacent mol-ecule. The F atoms of the two trifluoro-methyl groups display rotational disorder around the C-CF(3) axis, with an occupancy ratio of 0.54 (1):0.46 (1).

No MeSH data available.