Vu Quoc, Trung, Nguyen Ngoc, Linh, Do Truc, Vy, Duong Khanh, Linh, Ha Manh, Hung, Thang Pham, Chien and Van Meervelt, Luc 
ORCID: 0000-0003-2186-5209
(2017)
Crystal structure of 4-amino-3-(thio-phen-3-ylmeth-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione.
Acta crystallographica. Section E, Crystallographic communications, 73 (Pt 9).
pp. 1389-1392.
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Crystal structure of 4-amino-3-(thio-phen-3-ylmeth-yl)-1H-1,2,4-triazole-5(4H)-thione.pdf - Published version Download (722kB) | Preview |
Abstract
In the title compound, C<sub>7</sub>H<sub>8</sub>N<sub>4</sub>S<sub>2</sub>, the thio-phene ring shows rotational disorder over two orientations in a 0.6957 (15):0.3043 (15) ratio. The plane of the 1,2,4-triazole ring makes a dihedral angle of 75.02 (17)° with the major-disorder component of the thiophene ring. In the crystal, two types of inversion dimers, described by the graph-set motifs <i>R</i><sub>2</sub><sup>2</sup>(8) and <i>R</i><sub>2</sub><sup>2</sup>(10), are formed by N-H⋯S inter-actions. Chains of mol-ecules running in the [101] direction are linked by weaker N-H⋯N inter-actions. The thio-phene ring is involved in π-π and C-H⋯π inter-actions.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | 1,2,4-triazole-3-thione, crystal structure, disorder, polythiophene, thiophene |
| Depositing User: | Symplectic Admin |
| Date Deposited: | 30 May 2019 09:42 |
| Last Modified: | 19 Jan 2023 00:42 |
| DOI: | 10.1107/s2056989017012191 |
| Related URLs: | |
| URI: | https://livrepository.liverpool.ac.uk/id/eprint/3043323 |
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