STRUCTURAL STUDY OF A NEW 1-(2-THIENYL)-3-(3-METHYL-2-THIENYL)-PROPENONE, IN SITU RADIATION-INDUCED DIMERIZATION PRODUCTS

STRUCTURAL STUDY OF A NEW 1-(2-THIENYL)-3-(3-METHYL-2-THIENYL)-PROPENONE, IN SITU RADIATION-INDUCED DIMERIZATION PRODUCTS

The new conjugated system ("chalcone kind") reported herein, 1-(2-thienyl)-3-(3-methyl-2-thienyl)-propenone, C12H10OS2 presents a monomeric molecular structure, and it most interesting aspects are to be found in it intermolecular interactions, of varied type (C-H-O, C-H---7C, n-n) and strength. Some anomalies detected in the refinement process, however, provided evidence that an unexpected in-situ, radiation-induced dimerization reaction had taken place during data collection, with the starting and final products coexisting in a topotactic fashion. This effect is depended of structural packing; that is not all this kind of conjugated system presents this effect. The main factor is the distance between the double bonds of neighboring monomers (about 3 A).

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Main Authors: MORENO,Y, CONTRERAS,D, BULJAN,A, BROVELLI,F, BAGGIO,R
Format: Digital revista
Language:English
Published: Sociedad Chilena de Química 2010
Online Access:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072010000400024
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spelling oai:scielo:S0717-970720100004000242011-05-25STRUCTURAL STUDY OF A NEW 1-(2-THIENYL)-3-(3-METHYL-2-THIENYL)-PROPENONE, IN SITU RADIATION-INDUCED DIMERIZATION PRODUCTSMORENO,YCONTRERAS,DBULJAN,ABROVELLI,FBAGGIO,RThe new conjugated system ("chalcone kind") reported herein, 1-(2-thienyl)-3-(3-methyl-2-thienyl)-propenone, C12H10OS2 presents a monomeric molecular structure, and it most interesting aspects are to be found in it intermolecular interactions, of varied type (C-H-O, C-H---7C, n-n) and strength. Some anomalies detected in the refinement process, however, provided evidence that an unexpected in-situ, radiation-induced dimerization reaction had taken place during data collection, with the starting and final products coexisting in a topotactic fashion. This effect is depended of structural packing; that is not all this kind of conjugated system presents this effect. The main factor is the distance between the double bonds of neighboring monomers (about 3 A).info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.55 n.4 20102010-12-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072010000400024en10.4067/S0717-97072010000400024
institution SCIELO
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country Chile
countrycode CL
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region America del Sur
libraryname SciELO
language English
format Digital
author MORENO,Y
CONTRERAS,D
BULJAN,A
BROVELLI,F
BAGGIO,R
spellingShingle MORENO,Y
CONTRERAS,D
BULJAN,A
BROVELLI,F
BAGGIO,R
STRUCTURAL STUDY OF A NEW 1-(2-THIENYL)-3-(3-METHYL-2-THIENYL)-PROPENONE, IN SITU RADIATION-INDUCED DIMERIZATION PRODUCTS
author_facet MORENO,Y
CONTRERAS,D
BULJAN,A
BROVELLI,F
BAGGIO,R
author_sort MORENO,Y
title STRUCTURAL STUDY OF A NEW 1-(2-THIENYL)-3-(3-METHYL-2-THIENYL)-PROPENONE, IN SITU RADIATION-INDUCED DIMERIZATION PRODUCTS
title_short STRUCTURAL STUDY OF A NEW 1-(2-THIENYL)-3-(3-METHYL-2-THIENYL)-PROPENONE, IN SITU RADIATION-INDUCED DIMERIZATION PRODUCTS
title_full STRUCTURAL STUDY OF A NEW 1-(2-THIENYL)-3-(3-METHYL-2-THIENYL)-PROPENONE, IN SITU RADIATION-INDUCED DIMERIZATION PRODUCTS
title_fullStr STRUCTURAL STUDY OF A NEW 1-(2-THIENYL)-3-(3-METHYL-2-THIENYL)-PROPENONE, IN SITU RADIATION-INDUCED DIMERIZATION PRODUCTS
title_full_unstemmed STRUCTURAL STUDY OF A NEW 1-(2-THIENYL)-3-(3-METHYL-2-THIENYL)-PROPENONE, IN SITU RADIATION-INDUCED DIMERIZATION PRODUCTS
title_sort structural study of a new 1-(2-thienyl)-3-(3-methyl-2-thienyl)-propenone, in situ radiation-induced dimerization products
description The new conjugated system ("chalcone kind") reported herein, 1-(2-thienyl)-3-(3-methyl-2-thienyl)-propenone, C12H10OS2 presents a monomeric molecular structure, and it most interesting aspects are to be found in it intermolecular interactions, of varied type (C-H-O, C-H---7C, n-n) and strength. Some anomalies detected in the refinement process, however, provided evidence that an unexpected in-situ, radiation-induced dimerization reaction had taken place during data collection, with the starting and final products coexisting in a topotactic fashion. This effect is depended of structural packing; that is not all this kind of conjugated system presents this effect. The main factor is the distance between the double bonds of neighboring monomers (about 3 A).
publisher Sociedad Chilena de Química
publishDate 2010
url http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072010000400024
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AT contrerasd structuralstudyofanew12thienyl33methyl2thienylpropenoneinsituradiationinduceddimerizationproducts
AT buljana structuralstudyofanew12thienyl33methyl2thienylpropenoneinsituradiationinduceddimerizationproducts
AT brovellif structuralstudyofanew12thienyl33methyl2thienylpropenoneinsituradiationinduceddimerizationproducts
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