Crystal structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)- 1-isopropyl-1H-indol-2-yl]allylidene}amino)-5- methyl-1H-1,2,4-triazole-5(4H)-thione
The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C C and the acyclic N C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)�, respectively, with the indole and benzene rings. In the crystal, molecules are linked...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015
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| Subjects: | |
| Online Access: | http://eprints.usm.my/38586/ http://eprints.usm.my/38586/1/Crystal_structure_of_4-%28%7B%281E%2C2E%29-3-%5B3-%284-fluorophenyl%29-1-isopropyl-1H-indol-2-yl%5Dallylidene%7Damino%29-5-.pdf |
| _version_ | 1848878511309193216 |
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| 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. |
| building | USM Institutional Repository |
| collection | Online Access |
| description | The title compound, C23H22FN5S, exists in a trans conformation with respect to
the methene C C and the acyclic N C bonds. The 1,2,4-triazole-5(4H)-thione
ring makes dihedral angles of 88.66 (9) and 84.51 (10)�, respectively, with the
indole and benzene rings. In the crystal, molecules are linked by pairs of N—
H� � �S hydrogen bonds, forming inversion dimers with an R2
2(8) ring motif. The
dimers are linked via C—H� � �� interactions, forming chains along [110]. The
chains are linked via �—� interactions involving inversion-related triazole rings
[centroid–centroid distance = 3.4340 (13) A ° ], forming layers parallel to the ab
plane. |
| first_indexed | 2025-11-15T17:32:30Z |
| format | Article |
| id | usm-38586 |
| institution | Universiti Sains Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T17:32:30Z |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | usm-385862018-01-29T01:17:04Z http://eprints.usm.my/38586/ Crystal structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)- 1-isopropyl-1H-indol-2-yl]allylidene}amino)-5- methyl-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 title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C C and the acyclic N C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)�, respectively, with the indole and benzene rings. In the crystal, molecules are linked by pairs of N— H� � �S hydrogen bonds, forming inversion dimers with an R2 2(8) ring motif. The dimers are linked via C—H� � �� interactions, forming chains along [110]. The chains are linked via �—� interactions involving inversion-related triazole rings [centroid–centroid distance = 3.4340 (13) A ° ], forming layers parallel to the ab plane. International Union of Crystallography 2015 Article PeerReviewed application/pdf en http://eprints.usm.my/38586/1/Crystal_structure_of_4-%28%7B%281E%2C2E%29-3-%5B3-%284-fluorophenyl%29-1-isopropyl-1H-indol-2-yl%5Dallylidene%7Damino%29-5-.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)-5- methyl-1H-1,2,4-triazole-5(4H)-thione. Acta Crystallographica Section E: Crystallographic Communications, 71. pp. 1411-1413. ISSN 2056-9890 https://doi.org/10.1107/S2056989015020101 |
| 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)-5- methyl-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)-5-
methyl-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)-5-
methyl-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)-5-
methyl-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)-5-
methyl-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)-5-
methyl-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)-5-
methyl-1h-1,2,4-triazole-5(4h)-thione |
| topic | QC1-999 Physics QD1-999 Chemistry |
| url | http://eprints.usm.my/38586/ http://eprints.usm.my/38586/ http://eprints.usm.my/38586/1/Crystal_structure_of_4-%28%7B%281E%2C2E%29-3-%5B3-%284-fluorophenyl%29-1-isopropyl-1H-indol-2-yl%5Dallylidene%7Damino%29-5-.pdf |