N-Benzoyl-N'-phenylurea explained

N-Benzoyl-N′-phenylurea is an organic compound with PhCONHCONHPh formula. It is benzoylurea derivative substituted with phenyl group on the opposite nitrogen atom.

Structure and bonding

Structure of N-benzoyl-N′-phenylurea was first determined in 2010.[1] Molecules in this compound are approximately flat and exhibit high charge delocalization. Within the molecule an intramolecular N−H⋅⋅⋅O hydrogen bond is present forming pseudoaromatic 6-membered ring.[2] Additionally intermolecular N−H⋅⋅⋅O hydrogen bonds are also present combining two molecules into a centrosymmetric dimer (8-membered ring is formed).

Carbonyl C=O bond distances are equal to ca. 1.23 Å, C−N distances are in range of 1.34 to 1.41 Å.

Synthesis

In 1965 N-benzoyl-N′-phenylurea was synthesized when dry N-chlorobenzamide was reacted with phenylisocyanate or refluxed in dry benzene with anhydrous potassium fluoride.[3] Alternatively N-benzoyl-N′-phenylurea was synthesized in 2010 by hydrolysis of N-benzoyl-N′-phenylthiourea.

Notes and References

  1. Okuniewski . Andrzej . Chojnacki . Jarosław . Becker . Barbara . 2010 . N-Benzoyl-N′-phenylurea . Acta Crystallogr. E . 66 . 2 . o414 . 10.1107/S1600536810001807 . 21579832 . 2979815 .
  2. Karabıyık . Hasan . Karabıyık . Hande . İskeleli . Nazan . 2012 . Hydrogen-bridged chelate ring-assisted π-stacking interactions . Acta Crystallogr. B . 68 . 1 . 71–79 . 10.1107/S0108768111052608 . 22267560 .
  3. Rand . Leon . Dolinski . Richard . 1965 . Reactions Catalyzed By Potassium Fluoride. IV. The Reaction of N-Chlorobenzamide with Potassium Fluoride . J. Org. Chem. . 30 . 1 . 48–49 . 10.1021/jo01012a010 .