3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione
The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 A°) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming in...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014
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| Subjects: | |
| Online Access: | http://eprints.usm.my/37957/1/3-%28Adamantan-1-yl%29-4-benzyl-1H-1%2C2%2C4-.pdf |
| _version_ | 1825833760134791168 |
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| author | A. M. Al-Omary, Fatmah A. Ghabbour, Hazem El-Emam, Ali A. Chidan Kumar, C. S. Hoong, Kun Fun |
| author_facet | A. M. Al-Omary, Fatmah A. Ghabbour, Hazem El-Emam, Ali A. Chidan Kumar, C. S. Hoong, Kun Fun |
| author_sort | A. M. Al-Omary, Fatmah |
| collection | USM |
| description | The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 A°) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers that enclose R2/2(8) loops. The crystal packing is further stabilized by weak C—H...n interactions that link adjacent dimeric units into supramolecular chains extending along the a-axis direction. |
| first_indexed | 2024-03-06T15:12:36Z |
| format | Article |
| id | usm.eprints-37957 |
| institution | Universiti Sains Malaysia |
| language | English |
| last_indexed | 2024-03-06T15:12:36Z |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | usm.eprints-379572017-12-18T07:38:41Z http://eprints.usm.my/37957/ 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione A. M. Al-Omary, Fatmah A. Ghabbour, Hazem El-Emam, Ali A. Chidan Kumar, C. S. Hoong, Kun Fun QC1-999 Physics The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 A°) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers that enclose R2/2(8) loops. The crystal packing is further stabilized by weak C—H...n interactions that link adjacent dimeric units into supramolecular chains extending along the a-axis direction. International Union of Crystallography 2014 Article PeerReviewed application/pdf en http://eprints.usm.my/37957/1/3-%28Adamantan-1-yl%29-4-benzyl-1H-1%2C2%2C4-.pdf A. M. Al-Omary, Fatmah and A. Ghabbour, Hazem and El-Emam, Ali A. and Chidan Kumar, C. S. and Hoong, Kun Fun (2014) 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione. Acta Crystallographica Section E, 2014 (70). 0766-0774. ISSN 1600-5368 https://doi.org/10.1107/S1600536814013257 |
| spellingShingle | QC1-999 Physics A. M. Al-Omary, Fatmah A. Ghabbour, Hazem El-Emam, Ali A. Chidan Kumar, C. S. Hoong, Kun Fun 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione |
| title | 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione |
| title_full | 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione |
| title_fullStr | 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione |
| title_full_unstemmed | 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione |
| title_short | 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione |
| title_sort | 3 adamantan 1 yl 4 benzyl 1h 1 2 4 triazole 5 4h thione |
| topic | QC1-999 Physics |
| url | http://eprints.usm.my/37957/1/3-%28Adamantan-1-yl%29-4-benzyl-1H-1%2C2%2C4-.pdf |
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