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Crystal structure and Hirshfeld surface analysis of 1-(2-fluorophenyl)-1H-tetrazole-5(4H)-thione
- Source :
- Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 7, Pp 1007-1011 (2020)
- Publication Year :
- 2020
- Publisher :
- International Union of Crystallography (IUCr), 2020.
-
Abstract
- In the crystal of the title compound, C7H5FN4S, the molecules are non-planar, with dihedral angle formed by least-squares planes of tetrazole and benzene rings of 59.94 (8) °. The crystal packing is formed by N—H...S hydrogen bonds, which link the molecules into centrosymmetric dimers with an R 2 2(8) ring motif, and by the offset face-to-face π–π stacking interactions between the benzene rings, which join the dimers into layers parallel to (100). The Hirshfeld surface analysis shows that the most important contributions to the surface contacts are from N...H/H...N (21.9%), S...H/H...S (21.1%), H...H (14.6%), F...H/H...F (11.8%) and C...H/H...C (9.5%) interactions.
- Subjects :
- crystal structure
cycloaddition products
Crystallography
biology
Hydrogen bond
Stacking
General Chemistry
Crystal structure
Dihedral angle
hydrogen bonding
Condensed Matter Physics
biology.organism_classification
Ring (chemistry)
Crystal
chemistry.chemical_compound
chemistry
QD901-999
π–π stacking interactions
1h-tetrazole-5-thione ring
Tetra
General Materials Science
Benzene
Subjects
Details
- ISSN :
- 20569890
- Volume :
- 76
- Database :
- OpenAIRE
- Journal :
- Acta Crystallographica Section E Crystallographic Communications
- Accession number :
- edsair.doi.dedup.....ba05dc0ec95765f42a55639079800710
- Full Text :
- https://doi.org/10.1107/s2056989020007033