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4-Bromo-N-(diethyl-carbamothio-yl)-benzamide.

Binzet G, Flörke U, Külcü N, Arslan H - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: The short C-N bond lengths reveal the effects of resonance in this part of the mol-ecule.The two diethyl groups are twisted in + and - anti-periplanar conformations with angles of -179.89 and 179.92°.In the crystal structure, the mol-ecules form infinite chains via an inter-molecular N-H⋯O inter-action.

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ABSTRACT
The synthesis of the title compound, C(12)H(15)BrN(2)OS, involves the reaction of 4-bromo-benzoyl chloride with potassium thio-cyanate in dry acetone, followed by condensation of 4-bromo-benzoyl isothio-cyanate with diethyl-amine. The carbonyl and thio-carbonyl bond lengths indicate that these correspond to double bonds. The short C-N bond lengths reveal the effects of resonance in this part of the mol-ecule. The conformation of the mol-ecule with respect to the thio-carbonyl and carbonyl units is twisted, with torsion angles of -5.7 (3) and 87.2 (2)°. The N atom of the diethyl-amine group is sp(2)-hybridized: the sum of the angles around the N atom is 359.97 (14)°. The two diethyl groups are twisted in + and - anti-periplanar conformations with angles of -179.89 and 179.92°. In the crystal structure, the mol-ecules form infinite chains via an inter-molecular N-H⋯O inter-action.

No MeSH data available.


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Part of the structure showing the formation of endless chains involving N—H···O hydrogen bonds.
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Fap2: Part of the structure showing the formation of endless chains involving N—H···O hydrogen bonds.


4-Bromo-N-(diethyl-carbamothio-yl)-benzamide.

Binzet G, Flörke U, Külcü N, Arslan H - Acta Crystallogr Sect E Struct Rep Online (2009)

Part of the structure showing the formation of endless chains involving N—H···O hydrogen bonds.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2968358&req=5

Fap2: Part of the structure showing the formation of endless chains involving N—H···O hydrogen bonds.
Bottom Line: The short C-N bond lengths reveal the effects of resonance in this part of the mol-ecule.The two diethyl groups are twisted in + and - anti-periplanar conformations with angles of -179.89 and 179.92°.In the crystal structure, the mol-ecules form infinite chains via an inter-molecular N-H⋯O inter-action.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The synthesis of the title compound, C(12)H(15)BrN(2)OS, involves the reaction of 4-bromo-benzoyl chloride with potassium thio-cyanate in dry acetone, followed by condensation of 4-bromo-benzoyl isothio-cyanate with diethyl-amine. The carbonyl and thio-carbonyl bond lengths indicate that these correspond to double bonds. The short C-N bond lengths reveal the effects of resonance in this part of the mol-ecule. The conformation of the mol-ecule with respect to the thio-carbonyl and carbonyl units is twisted, with torsion angles of -5.7 (3) and 87.2 (2)°. The N atom of the diethyl-amine group is sp(2)-hybridized: the sum of the angles around the N atom is 359.97 (14)°. The two diethyl groups are twisted in + and - anti-periplanar conformations with angles of -179.89 and 179.92°. In the crystal structure, the mol-ecules form infinite chains via an inter-molecular N-H⋯O inter-action.

No MeSH data available.


Related in: MedlinePlus