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...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2015
|
| Subjects: | |
| 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 |
| _version_ | 1797010062005239808 |
|---|---|
| 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. |
| collection | USM |
| 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 ° ]. |
| first_indexed | 2024-03-06T15:14:27Z |
| format | Article |
| id | usm.eprints-38585 |
| institution | Universiti Sains Malaysia |
| language | English |
| last_indexed | 2024-03-06T15:14:27Z |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | usm.eprints-385852018-01-29T01:05:44Z 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 |
| spellingShingle | 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 |
| 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_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_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_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 |
| topic | QC1-999 Physics QD1-999 Chemistry |
| 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 |
| work_keys_str_mv | AT kulkarniajaykumard crystalstructureof41e2e334fluorophenyl1isopropyl1hindol2ylallylideneamino1h124triazole54hthione AT rahmanmdlutfor crystalstructureof41e2e334fluorophenyl1isopropyl1hindol2ylallylideneamino1h124triazole54hthione AT mohdyusoffmashitah crystalstructureof41e2e334fluorophenyl1isopropyl1hindol2ylallylideneamino1h124triazole54hthione AT hueychongkwong crystalstructureof41e2e334fluorophenyl1isopropyl1hindol2ylallylideneamino1h124triazole54hthione AT chingkhengquah crystalstructureof41e2e334fluorophenyl1isopropyl1hindol2ylallylideneamino1h124triazole54hthione |