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4-Bromo-N-(di-n-propyl-carbamothioyl)-benzamide

4-Bromo-N-(di-n-propyl-carbamothioyl)-benzamide

Gün Binzet, Ulrich Flörke, Nevzat Külcü, Hakan Arslan

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 4;65(Pt 3):o452-3.

PMID: 21582125

Abstract:

The synthesis of the title compound, C(14)H(19)BrN(2)OS, involves the reaction of 4-bromo-benzoyl chloride with potassium thio-cyanate in acetone followed by condensation of the resulting 4-bromo-benzoyl isothio-cyanate with di-n-propyl-amine. Typical thio-urea carbonyl and thio-carbonyl double bonds, as well as shortened C-N bonds, are observed in the title compound. The short C-N bond lengths in the centre of the mol-ecule reveal the effects of resonance in this part of the mol-ecule. The asymmetric unit of the title compound contains two crystallographically independent mol-ecules, A and B. There is very little difference between the bond lengths and angles of these mol-ecules. In mol-ecule B, one di-n-propyl group is twisted in a -anti-periplanar conformation with C-C-C-H = -179.1 (3)° and the other adopts a -synclinal conformation with C-C-C-H = -56.7 (4)°; in mol-ecule A the two di-n-propyl groups are twisted in + and -anti-periplanar conformations, with C-C-C-H = -179.9 (3) and 178.2 (3)°, respectively. In the crystal, the mol-ecules are linked into dimeric pairs via pairs of N-H⋯S hydrogen bonds.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP1581694963	4-(Dimethyl-d6-amino)benzoyl chloride		1581694-96-3	Price

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