Crystal structure and Hirshfeld surface analysis of 1-(2-fluoro-phen-yl)-1H -tetra-zole-5(4H )-thione

Acta Crystallographica. Section E, Crystallographic Communications
Rizvan K AskerovA V Borisov

Abstract

In the crystal of the title compound, C7H5FN4S, the mol-ecules are non-planar, with dihedral angle formed by least-squares planes of tetra-zole and benzene rings of 59.94 (8) °. The crystal packing is formed by N-H⋯S hydrogen bonds, which link the mol-ecules into centrosymmetric dimers with an R22(8) ring motif, and by the offset face-to-face π-π stacking inter-actions 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%) inter-actions.

References

Nov 8, 2006·Acta Crystallographica. Section C, Crystal Structure Communications·Onur SahinCihan Kantar
Jan 26, 2008·Chemical Communications : Chem Comm·Joshua J McKinnonMark A Spackman
Jul 27, 2010·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Luís Miguel Teodoro FrijaMaria Lurdes Santos Cristiano
Dec 30, 2014·Acta Crystallographica. Section A, Foundations and Advances·George M Sheldrick
Jan 9, 2015·Acta Crystallographica. Section C, Structural Chemistry·George M Sheldrick
Apr 7, 2016·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Colin R GroomSuzanna C Ward
Sep 22, 2017·Acta Crystallographica. Section E, Crystallographic Communications·Monirah A Al-AlshaikhSantiago Garcia-Granda
Dec 12, 2018·European Journal of Medicinal Chemistry·Chuan GaoLian-Shun Feng
Feb 2, 2019·Chemical Reviews·Constantinos G NeochoritisAlexander Dömling
Mar 25, 2019·European Journal of Medicinal Chemistry·Sheng-Qiang WangZhi Xu
Jan 11, 2020·Acta Crystallographica. Section E, Crystallographic Communications·Anthony L Spek
Feb 20, 2020·Acta Crystallographica. Section E, Crystallographic Communications·Alaa S AbdelrazeqSantiago Garcia-Granda

❮ Previous
Next ❯

Software Mentioned

CrystalExplorer17
JESTOR
JESTUX

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Acta Crystallographica. Section E, Crystallographic Communications
M RenugadeviSuganya Suresh
Acta Crystallographica. Section E, Crystallographic Communications
Fouad El KaliNoureddine Benchat
© 2021 Meta ULC. All rights reserved