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The Synthesis and Crystal Structure of 5-Methyl-1-(1-naphthyl)-1,2,3-triazol-4-carboxyl Acid
Authors:Shi-Qiang Liu  Bin Quan  Hong-Ru Dong  Heng-Shan Dong
Institution:(1) State Key Laboratory of Applied Organic Chemistry, Institute of Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, Gansu, 730000, People’s Republic of China;(2) College of Science and Engineering, Gansu Association University, Lanzhou, Gansu, 730000, China
Abstract:Abstract  5-Methyl-1-(1-naphthyl)-1,2,3-triazol-4-carboxyl acid 3 was synthesized from 1-aminonaphthalene. The yielded product 3 was investigated with X-ray crystallographic, NMR, MS and IR techniques. Compound 3, C14H11N3O2, Mr = 253.26, crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.068(2), b = 12.353(2), c = 20.102(4) ?, V = 2500.1(8) ?3, Z = 8, Dx = 1.346 Mgm-3. The final R was 0.0474. The molecular packing is stabilized by intermolecular O–H···N interactions. Index Abstract  5-Methyl-1-(1-naphthyl)-1,2,3-triazol-4-carboxyl acid 3 was synthesized from 1-aminonaphthalene. The yielded product 3 was investigated with X-ray crystallographic, NMR, MS and IR techniques. Compound 3, C14H11N3O2, Mr = 253.26, crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.068(2), b = 12.353(2), c = 20.102(4) ?, α = β = γ = 90.00o. V = 2,500.1(8) ?3, Z = 8, Dx = 1.346 Mgm−3. The final R was 0.0474. The molecular packing is stabilized by intermolecular O–H···N interactions. MediaObjects/10870_2008_9408_Figa_HTML.gif
Keywords:Crystal structure  1  2  3-Triazol-4-carboxyl acid  5-Methyl-1-(1-naphthyl)-1  2  3-triazol-4-carboxyl acid  H-bond  Synthesis
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