About: Structural comparison of five new halogenated dihydroquinoline-4(1H)-ones

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Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
title	Structural comparison of five new halogenated dihydroquinoline-4(1H)-ones
Creator	Lião, Luciano Michelini, Lidiane Napolitano, Hamilton Oliveira, Gerlon Oliver, Allen Perez, Caridad Vaz, Wesley
source	Elsevier; Medline; PMC
abstract	Compounds with dihydroquinoline-4(1H)-one nuclei have been reported in the literature for being important in the development of medicines due to their broad spectrum of activities. In this way, the structural knowledge of this class becomes relevant for obtaining new materials with desired biological properties. This study presents the structural elucidation of five halogenated dihydroquinolines, as well as the discussion about the effect on the molecular conformation of the type and position of halogen atom on aromatic rings. Compounds I and IV differ in halogen substitution on 2-phenyl ring, while compounds III and V differ in halogen substitution on the benzylidene ring. Moreover, compound II has a para-substituted 2-phenyl ring in their molecular structure. The crystal packing of all five molecules is mainly ruled by C–H⋯O and C–H···halogen interactions that form dimers and chains. The shift in position and the kind of the halogen in ring C shows a starring role in the conformation of the studied compounds, and the packaging of these compounds is more susceptible to variations when the halogen position changes.
has issue date	2020-06-02(xsd:dateTime)
bibo:doi	10.1016/j.molstruc.2020.128559
bibo:pmid	32536721
has license	no-cc
sha1sum (hex)	da277ebd3940c5267d7c08ddc3704fd0c7e646bc
schema:url	https://doi.org/10.1016/j.molstruc.2020.128559
resource representing a document's title	Structural comparison of five new halogenated dihydroquinoline-4(1H)-ones
has PubMed Central identifier	PMC7264041
has PubMed identifier	32536721
schema:publication	J Mol Struct
resource representing a document's body	covid:da277ebd3940c5267d7c08ddc3704fd0c7e646bc#body_text
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