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...
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International Union of Crystallography
2015
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| Online Access: | http://eprints.usm.my/38585/1/Crystal_structure_of_4-%28%7B%281E%2C2E%29-3-%5B3-%284-fluorophenyl%29-1-isopropyl-1H-indol-2-yl%5Dallylidene%7Damino%29-1H-.pdf http://eprints.usm.my/38585/ https://doi.org/10.1107/S205698901502201X |
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my.usm.eprints.38585 http://eprints.usm.my/38585/ 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. Rahman, Md. Lutfor Mohd. Yusoff, Mashitah Huey, Chong Kwong Ching, Kheng Quah QC1-999 Physics QD1-999 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://eprints.usm.my/38585/1/Crystal_structure_of_4-%28%7B%281E%2C2E%29-3-%5B3-%284-fluorophenyl%29-1-isopropyl-1H-indol-2-yl%5Dallylidene%7Damino%29-1H-.pdf Kulkarni, Ajaykumar D. and Rahman, Md. Lutfor and Mohd. Yusoff, Mashitah 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, 71. pp. 1525-1527. ISSN 2056-9890 https://doi.org/10.1107/S205698901502201X |
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QC1-999 Physics QD1-999 Chemistry Kulkarni, Ajaykumar D. Rahman, Md. Lutfor Mohd. Yusoff, Mashitah 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 |
| description |
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. Rahman, Md. Lutfor Mohd. Yusoff, Mashitah Huey, Chong Kwong Ching, Kheng Quah |
| author_facet |
Kulkarni, Ajaykumar D. Rahman, Md. Lutfor Mohd. Yusoff, Mashitah 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://eprints.usm.my/38585/1/Crystal_structure_of_4-%28%7B%281E%2C2E%29-3-%5B3-%284-fluorophenyl%29-1-isopropyl-1H-indol-2-yl%5Dallylidene%7Damino%29-1H-.pdf http://eprints.usm.my/38585/ https://doi.org/10.1107/S205698901502201X |
| _version_ |
1643709401077383168 |
| score |
13.211869 |