Skip to main content
padlock icon - secure page this page is secure

Open Access Crystal structure and Hirshfield surface analysis of 4-phenyl-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione

Download Article:

The full text article is available externally.

The article you have requested is supplied via the DOAJ. View from original source.

In the title compound, C13H11N3S2, the phenyl ring is twisted from the 1,2,4-triazole plane by 63.35 (9)° and by 47.35 (9)° from the thiophene plane. In the crystal, chains of molecules running along the c-axis direction are formed by N—H...S interactions [graph-set motif C(4)]. The 1,2,4-triazole and phenyl rings are involved in π–π stacking interactions [centroid–centroid distance = 3.4553 (10) Å]. The thiophene ring is involved in C—H...S and C—H...π interactions. The intermolecular interactions in the crystal packing were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are H...H (35.8%), followed by S...H/H...S (26.7%) and C...H/H...C (18.2%).
No References
No Citations
No Supplementary Data
No Article Media
No Metrics

Document Type: Research Article

Affiliations: 1: Faculty of Chemistry, Hanoi National University of Education, 136 Xuan Thuy, Cau Giay, Hanoi, Vietnam 2: Department of Chemistry, Hanoi University of Science, 19 Le Thanh Tong Street, Ha Ba Discrict, Hanoi, Vietnam 3: Department of Chemistry, KU Leuven, Biomolecular Architecture, Celestijnenlaan 200F, Leuven (Heverlee), B-3001, Belgium

Publication date: January 1, 2018

  • Access Key
  • Free content
  • Partial Free content
  • New content
  • Open access content
  • Partial Open access content
  • Subscribed content
  • Partial Subscribed content
  • Free trial content
Cookie Policy
Cookie Policy
Ingenta Connect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more