5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline
In the title molecule, C(20)H(13)N(3)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 angstrom and a maximum deviation of 0.090 (2) angstrom from the mean plane for the triazole ring C atom which is bonded to the thiophene ring. The phenyl ring is tw...
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| Format: | Article |
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International Union of Crystallography
2010
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| author | Khan, F.N. Manivel, P. Prabakaran, K. Hathwar, V.R. Ng, S.W. |
| author_facet | Khan, F.N. Manivel, P. Prabakaran, K. Hathwar, V.R. Ng, S.W. |
| author_sort | Khan, F.N. |
| collection | UM |
| description | In the title molecule, C(20)H(13)N(3)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 angstrom and a maximum deviation of 0.090 (2) angstrom from the mean plane for the triazole ring C atom which is bonded to the thiophene ring. The phenyl ring is twisted by 52.0 (1)degrees with respect to the mean plane of the triazoloisoquinoline ring system. The thiophene ring is rotationally disordered by approximately 180 degrees over two sites, the ratio of refined occupancies being 0.73 (1): 0.27 (1). |
| first_indexed | 2024-03-06T05:38:20Z |
| format | Article |
| id | um.eprints-15221 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:38:20Z |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | um.eprints-152212019-01-31T04:34:35Z http://eprints.um.edu.my/15221/ 5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline Khan, F.N. Manivel, P. Prabakaran, K. Hathwar, V.R. Ng, S.W. QC Physics In the title molecule, C(20)H(13)N(3)S, the triazoloisoquinoline ring system is approximately planar, with an r.m.s. deviation of 0.045 angstrom and a maximum deviation of 0.090 (2) angstrom from the mean plane for the triazole ring C atom which is bonded to the thiophene ring. The phenyl ring is twisted by 52.0 (1)degrees with respect to the mean plane of the triazoloisoquinoline ring system. The thiophene ring is rotationally disordered by approximately 180 degrees over two sites, the ratio of refined occupancies being 0.73 (1): 0.27 (1). International Union of Crystallography 2010 Article PeerReviewed Khan, F.N. and Manivel, P. and Prabakaran, K. and Hathwar, V.R. and Ng, S.W. (2010) 5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline. Acta Crystallographica Section E: Structure Reports Online, 66 (2). O488-U3600. ISSN 1600-5368, |
| spellingShingle | QC Physics Khan, F.N. Manivel, P. Prabakaran, K. Hathwar, V.R. Ng, S.W. 5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline |
| title | 5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline |
| title_full | 5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline |
| title_fullStr | 5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline |
| title_full_unstemmed | 5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline |
| title_short | 5-Phenyl-3-(2-thienyl)-1,2,4-triazolo[3,4-a]isoquinoline |
| title_sort | 5 phenyl 3 2 thienyl 1 2 4 triazolo 3 4 a isoquinoline |
| topic | QC Physics |
| work_keys_str_mv | AT khanfn 5phenyl32thienyl124triazolo34aisoquinoline AT manivelp 5phenyl32thienyl124triazolo34aisoquinoline AT prabakarank 5phenyl32thienyl124triazolo34aisoquinoline AT hathwarvr 5phenyl32thienyl124triazolo34aisoquinoline AT ngsw 5phenyl32thienyl124triazolo34aisoquinoline |