A comparison between observed and DFT calculations on structure of 5-(4-chlorophenyl)-2-amino-1,3,4-thiadiazole

The crystal and molecular structure of 5-(4-chlorophenyl)-2-amino-1,3,4-thiadiazole 3 was reported, which was characterized by various spectroscopic techniques (FT-IR, NMR and HRMS) and single-crystal X-ray diffraction. The crystal structure 3 (C(8)H(6)ClN(3)S) crystallized in the orthorhombic space...

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Udgivet i:Sci Rep
Main Authors: Kerru, Nagaraju, Gummidi, Lalitha, Bhaskaruni, Sandeep V. H. S., Maddila, Surya Narayana, Singh, Parvesh, Jonnalagadda, Sreekantha B.
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group UK 2019
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Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6917775/
https://ncbi.nlm.nih.gov/pubmed/31848439
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-55793-5
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