One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole
The title compound 1-benzyl-5-((4-methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3- Triazole (C24H19N3O) was designed and synthesized using one-pot strategy and structural characterization was done by single-crystal X-ray diffraction, NMR, IR and MS. This compound was crystallized out from an ethanolic solu...
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| Format: | Article |
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Fujian Institute of Research of the Structure of Matter
2016
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| author | Ahmed, M.N. Yasin, K.A. Khan, B.A. Riaz, M. -, Sadiq-Ur-Rehman Lo, K.M. Naseer, M.M. Arshad, I. Irshad, M. |
| author_facet | Ahmed, M.N. Yasin, K.A. Khan, B.A. Riaz, M. -, Sadiq-Ur-Rehman Lo, K.M. Naseer, M.M. Arshad, I. Irshad, M. |
| author_sort | Ahmed, M.N. |
| collection | UM |
| description | The title compound 1-benzyl-5-((4-methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3- Triazole (C24H19N3O) was designed and synthesized using one-pot strategy and structural characterization was done by single-crystal X-ray diffraction, NMR, IR and MS. This compound was crystallized out from an ethanolic solution in triclinic system, space group P1 with a = 9.9038(9), b = 10.2928(9), c = 18.8715(19) Å, α = 103.541(6), β = 90.507(7), γ = 97.157(7)°, V = 1854.2(3) Å3, Z = 4, crystal size (mm) = 0.25 × 0.1 × 0.1 and Rint= 0.068. Its asymmetric unit contains two independent molecules. The crystal structure of the title compound is stabilized by intramolecular interactions of types C-H.........N and C-H.........O. Additionally, X-ray analysis reveals obvious C-H.........π, π-π stacking interactions between two adjacent aromatic ring planes. |
| first_indexed | 2024-03-06T05:44:35Z |
| format | Article |
| id | um.eprints-18150 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:44:35Z |
| publishDate | 2016 |
| publisher | Fujian Institute of Research of the Structure of Matter |
| record_format | dspace |
| spelling | um.eprints-181502017-11-08T01:14:01Z http://eprints.um.edu.my/18150/ One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole Ahmed, M.N. Yasin, K.A. Khan, B.A. Riaz, M. -, Sadiq-Ur-Rehman Lo, K.M. Naseer, M.M. Arshad, I. Irshad, M. Q Science (General) QD Chemistry The title compound 1-benzyl-5-((4-methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3- Triazole (C24H19N3O) was designed and synthesized using one-pot strategy and structural characterization was done by single-crystal X-ray diffraction, NMR, IR and MS. This compound was crystallized out from an ethanolic solution in triclinic system, space group P1 with a = 9.9038(9), b = 10.2928(9), c = 18.8715(19) Å, α = 103.541(6), β = 90.507(7), γ = 97.157(7)°, V = 1854.2(3) Å3, Z = 4, crystal size (mm) = 0.25 × 0.1 × 0.1 and Rint= 0.068. Its asymmetric unit contains two independent molecules. The crystal structure of the title compound is stabilized by intramolecular interactions of types C-H.........N and C-H.........O. Additionally, X-ray analysis reveals obvious C-H.........π, π-π stacking interactions between two adjacent aromatic ring planes. Fujian Institute of Research of the Structure of Matter 2016 Article PeerReviewed Ahmed, M.N. and Yasin, K.A. and Khan, B.A. and Riaz, M. and -, Sadiq-Ur-Rehman and Lo, K.M. and Naseer, M.M. and Arshad, I. and Irshad, M. (2016) One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole. Jiegou Huaxue, 35 (1). pp. 55-60. ISSN 0254-5861, DOI https://doi.org/10.14102/j.cnki.0254-5861.2011-0831 <https://doi.org/10.14102/j.cnki.0254-5861.2011-0831>. http://dx.doi.org/10.14102/j.cnki.0254-5861.2011-0831 doi:10.14102/j.cnki.0254-5861.2011-0831 |
| spellingShingle | Q Science (General) QD Chemistry Ahmed, M.N. Yasin, K.A. Khan, B.A. Riaz, M. -, Sadiq-Ur-Rehman Lo, K.M. Naseer, M.M. Arshad, I. Irshad, M. One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole |
| title | One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole |
| title_full | One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole |
| title_fullStr | One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole |
| title_full_unstemmed | One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole |
| title_short | One-pot synthesis, characterization and crystal structure determination of novel 1,4,5-Trisubstituted 1,2,3-Triazole with two conformational isomers: 1-Benzyl-5-((4- methoxyphenyl)ethynyl)-4-phenyl-1H-1,2,3-triazole |
| title_sort | one pot synthesis characterization and crystal structure determination of novel 1 4 5 trisubstituted 1 2 3 triazole with two conformational isomers 1 benzyl 5 4 methoxyphenyl ethynyl 4 phenyl 1h 1 2 3 triazole |
| topic | Q Science (General) QD Chemistry |
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