2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2H-benzo[h]chromene-5,6-dione: Crystal structure and Hirshfeld analysis

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dc.contributor.authorZukerman-Schpector J.
dc.contributor.authorPrado K.E.
dc.contributor.authorName L.L.
dc.contributor.authorCella R.
dc.contributor.authorJotani M.M.
dc.contributor.authorTiekink E.R.T.
dc.date.accessioned2019-08-20T00:12:07Z
dc.date.available2019-08-20T00:12:07Z
dc.date.issued2017
dc.description.abstract© 2017.The title organoselenium compound, C19H13ClO3Se {systematic name: 2-[(4-chlorophenyl)selanyl]-2H,3H,4H,5H,6H-naphtho[1,2-b]pyran-5,6-dione}, has the substituted 2-pyranyl ring in a half-chair conformation with the methylene-C atom bound to the methine-C atom being the flap atom. The dihedral angle between the two aromatic regions of the molecule is 9.96 (9)° and indicates a step-like conformation. An intramolecular Se⋯O interaction of 2.8122 (13) Å is noted. In the crystal, φ-φ contacts between naphthyl rings [inter-centroid distance = 3.7213 (12) Å] and between naphthyl and chlorobenzene rings [inter-centroid distance = 3.7715 (13) Å], along with C-Cl⋯φ(chlorobenzene) contacts, lead to supramolecular layers parallel to the ab plane, which are connected into a three-dimensional architecture via methylene-C-H⋯O(carbonyl) interactions. The contributions of these and other weak contacts to the Hirshfeld surface is described.
dc.description.firstpage918
dc.description.issuenumber6
dc.description.lastpage924
dc.description.volume73
dc.identifier.citationZUKERMAN-SCHPECTOR, Julio; PRADO, KARINNE E.; NAME, LUCCAS L.; CELLA, Rodrigo; JOTANI, MUKESH M.; TIEKINK, EDWARD R. T.. 2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2 -benzo[ ]chromene-5,6-dione: crystal structure and Hirshfeld analysis. ACTA CRYSTALLOGRAPHICA SECTION E, CRYSTALLOGRAPHIC COMMUNICATIONS, v. 73, n. 6, p. 918-924, 2017.
dc.identifier.doi10.1107/S2056989017007605
dc.identifier.issn2056-9890
dc.identifier.urihttps://repositorio.fei.edu.br/handle/FEI/1776
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communications
dc.rightsAcesso Aberto
dc.subject.otherlanguageC-Cl⋯φ interactions
dc.subject.otherlanguagecrystal structure
dc.subject.otherlanguageHirshfeld surface analysis
dc.subject.otherlanguagepyran derivative
dc.subject.otherlanguageselenium
dc.title2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2H-benzo[h]chromene-5,6-dione: Crystal structure and Hirshfeld analysis
dc.typeArtigo
fei.scopus.citations5
fei.scopus.eid2-s2.0-85020260025
fei.scopus.updated2025-01-01
fei.scopus.urlhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85020260025&origin=inward
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