1639370-72-1

Basic information

• Product Name: (E)-N'-(4-bromobenzylidene)-5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
• CAS NO: 1639370-72-1
• Molecular Weight: 429.233
• Mol File: 1639370-72-1.mol

Chemical Properties

• CAS DataBase Reference: (E)-N'-(4-bromobenzylidene)-5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-N'-(4-bromobenzylidene)-5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide(1639370-72-1)
• EPA Substance Registry System: (E)-N'-(4-bromobenzylidene)-5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide(1639370-72-1)

Safety Data

• Hazardous Substances Data: 1639370-72-1(Hazardous Substances Data)

Upstream product

• 1400592-81-5 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide 
• 1122-91-4 4-bromo-benzaldehyde 

Relevant articles and documents

Syntheses, X-ray crystal structures and intermolecular interaction patterns of hydrazone derivatives with 1,2,3-triazole entity at 100 K

Five new hydrazone derivatives, (E)-N-(4-fluorobenzylidene)-5-methyl-1-(4- nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, (E)-N-(4-chlorobenzylidene)-5- methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, (E)-N-(4-bromobenzylidene)-5-methyl-1-(4-nitrophenyl)-1H-1,2, 3-triazole-4-carbohydrazide, (E)-N-(4-hydroxy-3-methoxybenzylidene)-5-methyl-1- (4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide and (E)-N-(1-(4-bromophenyl) ethylidene)-5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide (denoted as A-E), were prepared and their molecular structures were characterized by single crystal X-ray diffraction. Compound A crystallizes in monoclinic P21/c, a = 6.8057(1) A, b = 12.7447(3) A, c = 18.6936(3) A, β = 105.356(1)°, B crystallizes in monoclinic P21/c, a = 8.3815(2) A, b = 20.8298(4) A, c = 9.5932(2) A, β = 99.612(1)°, C crystallizes in monoclinic P21/c, a = 8.4213(8) A, b = 21.077(2) A, c = 9.5899(10) A, β = 99.979(2)°, D crystallizes in monoclinic P21/c, a = 11.1644(10) A, b = 16.3508(15) A, c = 9.7313(9) A, β = 105.757(1)° and E crystallizes in triclinic P 1 , a = 8.7415(7) A, b = 10.1032(8) A, c = 11.6852(9) A, α = 68.306(1)°, β = 84.894(1)°, γ = 68.289(1)°. All of the five compounds with close molecular conformations adopt a trans configuration with respect to the hydrazone C = N double bond and weak non-classical intermolecular C-H···O hydrogen bonds are observed in the crystal. Isomorphous substitution between compounds B and C with simple replacement of chlorine atom to bromine atom is giving rise to similar molecular geometries, unit cell parameters and intermolecular interaction pattern of three-dimensional network. Graphical Abstract: Five new hydrazone derivatives possessing 5-methyl-1-(4-nitrophenyl)-1,2,3-triazole moiety (denoted as A to E) are characterized by single crystal X-ray structure determination method. The intermolecular interaction pattern of D is strongly influenced by strong O-H···O hydrogen bond, whereas only non-classical C-H···O hydrogen bonds are observed in the rest. Compounds B and C with isomorphous chlorine-bromine substitution are crystallized under same space group and similar unit cell parameters.[Figure not available: see fulltext.]