Hirshfeld analysis and mol­ecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-yl­idene)-N-methyl­hydrazinecarbo­thio­amide

The acetic acid-catalyzed reaction between 5-chloro­isatin and 4-methyl­thio­semicarbazide yields the title compound, C(10)H(9)ClN(4)OS (I) (common name: 5-chloro­isatin-4-methyl­thio­semicarbazone). The mol­ecule is nearly planar (r.m.s. deviation = 0.047 Å for all non-H atoms), with a maximum devi...

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Bibliographic Details
Published in:Acta Crystallogr E Crystallogr Commun
Main Authors: Velasques, Jecika Maciel, Gervini, Vanessa Carratu, Kickofel, Lisliane, de Farias, Renan Lira, de Oliveira, Adriano Bof
Format: Artigo
Language:Inglês
Published: International Union of Crystallography 2017
Subjects:
Research Communications
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC5418788/
https://ncbi.nlm.nih.gov/pubmed/28529780
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2056989017005461
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