Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)1H-1,2,4-triazole-5(4H)-thione
The asymmetric unit of the titled compound, C22H20FN5S, comprises two independent molecules (A and B), both of which have a trans conformation with respect to the methene C C [1.342 (2) and 1.335 (2) A ˚ ] and the acyclic N C [1.283 (2) and 1.281 (2) A ˚ ] bonds. In molecule A, the triazole ring ma...
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2015
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my.ump.umpir.127972018-01-31T03:31:56Z http://umpir.ump.edu.my/id/eprint/12797/ Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)1H-1,2,4-triazole-5(4H)-thione Kulkarni, Ajaykumar D. Lutfor, M. R. M. M., Yusoff Huey, Chong Kwong Ching, Kheng Quah QD Chemistry The asymmetric unit of the titled compound, C22H20FN5S, comprises two independent molecules (A and B), both of which have a trans conformation with respect to the methene C C [1.342 (2) and 1.335 (2) A ˚ ] and the acyclic N C [1.283 (2) and 1.281 (2) A ˚ ] bonds. In molecule A, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)� with the benzene and indole rings,respectively. The corresponding dihedral angles for molecule B are 54.54 (11) and 14.60 (10)�, respectively. In the crystal, molecules are consolidated into –A–B–A–B– chains along [010] via N—H� � �N hydrogen bonds. The chains are further linked into layers parallel to the ac plane via �–� interactions involving inversion-related triazole rings [centroid–centroid distances = 3.3436 (11)–3.4792 (13) A ˚ ]. International Union of Crystallography 2015 Article PeerReviewed application/pdf en http://umpir.ump.edu.my/id/eprint/12797/1/sendreprint_LR-2.pdf application/pdf en http://umpir.ump.edu.my/id/eprint/12797/7/fist2015-lutfor-crystal%20structure-part12.pdf Kulkarni, Ajaykumar D. and Lutfor, M. R. and M. M., Yusoff and Huey, Chong Kwong and Ching, Kheng Quah (2015) Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)1H-1,2,4-triazole-5(4H)-thione. Acta Crystallographica Section E: Crystallographic Communications, E71 (12). pp. 1525-1527. ISSN 2056-9890 http://dx.doi.org/10.1107/S205698901502201X DOI: 10.1107/S205698901502201X |
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QD Chemistry Kulkarni, Ajaykumar D. Lutfor, M. R. M. M., Yusoff Huey, Chong Kwong Ching, Kheng Quah Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)1H-1,2,4-triazole-5(4H)-thione |
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The asymmetric unit of the titled compound, C22H20FN5S, comprises two independent molecules (A and B), both of which have a trans conformation with respect to the methene C C [1.342 (2) and 1.335 (2) A ˚ ] and the acyclic N C
[1.283 (2) and 1.281 (2) A ˚ ] bonds. In molecule A, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)� with the benzene and indole rings,respectively. The corresponding dihedral angles for molecule B are 54.54 (11)
and 14.60 (10)�, respectively. In the crystal, molecules are consolidated into –A–B–A–B– chains along [010] via N—H� � �N hydrogen bonds. The chains are further linked into layers parallel to the ac plane via �–� interactions involving inversion-related triazole rings [centroid–centroid distances = 3.3436 (11)–3.4792 (13) A ˚ ]. |
| format |
Article |
| author |
Kulkarni, Ajaykumar D. Lutfor, M. R. M. M., Yusoff Huey, Chong Kwong Ching, Kheng Quah |
| author_facet |
Kulkarni, Ajaykumar D. Lutfor, M. R. M. M., Yusoff Huey, Chong Kwong Ching, Kheng Quah |
| author_sort |
Kulkarni, Ajaykumar D. |
| title |
Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)1H-1,2,4-triazole-5(4H)-thione |
| title_short |
Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)1H-1,2,4-triazole-5(4H)-thione |
| title_full |
Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)1H-1,2,4-triazole-5(4H)-thione |
| title_fullStr |
Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)1H-1,2,4-triazole-5(4H)-thione |
| title_full_unstemmed |
Crystal Structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)1H-1,2,4-triazole-5(4H)-thione |
| title_sort |
crystal structure of 4-({(1e,2e)-3-[3-(4-fluorophenyl)-1-isopropyl-1h-indol-2-yl]allylidene}amino)1h-1,2,4-triazole-5(4h)-thione |
| publisher |
International Union of Crystallography |
| publishDate |
2015 |
| url |
http://umpir.ump.edu.my/id/eprint/12797/1/sendreprint_LR-2.pdf http://umpir.ump.edu.my/id/eprint/12797/7/fist2015-lutfor-crystal%20structure-part12.pdf http://umpir.ump.edu.my/id/eprint/12797/ http://dx.doi.org/10.1107/S205698901502201X |
| _version_ |
1643666993296965632 |