13338-08-4

Basic information

• Product Name: 3,5,7-triphenyl-1,2-diazacyclohepta-1⁽⁷⁾,2-diene
• Synonyms: 3,5,7-triphenyl-1,2-diazacyclohepta-1⁽⁷⁾,2-diene
• CAS NO: 13338-08-4
• Molecular Weight: 324.425
• Mol File: 13338-08-4.mol

Chemical Properties

• CAS DataBase Reference: 3,5,7-triphenyl-1,2-diazacyclohepta-1⁽⁷⁾,2-diene(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5,7-triphenyl-1,2-diazacyclohepta-1⁽⁷⁾,2-diene(13338-08-4)
• EPA Substance Registry System: 3,5,7-triphenyl-1,2-diazacyclohepta-1⁽⁷⁾,2-diene(13338-08-4)

Safety Data

• Hazardous Substances Data: 13338-08-4(Hazardous Substances Data)

Upstream product

• 6263-84-9 1,3,5-triphenyl-1,5-pentanedione 

Relevant articles and documents

Two seven-membered heterocycles with 1,2-diaza ring N atoms: 3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene and 3,7-bis(2-hydroxyphenyl)-5- phenyl-1,2-diazacyclohepta-1(7),2-diene

The title compounds, 3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene, C23H20N2, (I), and 3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2- diazacyclohepta-1(7),2-diene, C23H20N2O 2, (II), constitute the first structurally characterized examples of seven-membered heterocycles with 1,2-diaza ring N atoms. Compound (I) crystallizes in the space group P, with two independent molecules in the asymmetric unit that differ in the conformation of one of the phenyl rings, while (II) crystallizes in the space group C2/c. The C5N2 ring in each of (I) and (II) adopts a twist-boat conformation. Compound (I) exhibits neither C - H...π interactions nor π-π stacking interactions, whereas (II) shows both intramolecular O - H...N hydrogen bonds and a C - H...π interaction that joins the molecules into an infinite chain in the [010] direction.