Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene

The crystal structure of the title compound C22H30N4O2 H2O (L), has been determined using X-ray diffraction at 293 K. The crystal of 1,2-bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene is in triclinic crystal system with space group P(-1) (Z = 2), lattice parameters a = 8.225(6) A ° , b= 10....

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Detalhes bibliográficos
Autores: Guerrero, Miguel, Pons, Josefina, Font Bardia, Ma. Mercedes, Calvet Pallàs, Maria Teresa, Ros, Josep
Formato: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2011
País:España
Recursos:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/213300
Acesso em linha:https://hdl.handle.net/2445/213300
Access Level:acceso abierto
Palavra-chave:Estructura cristal·lina (Sòlids)
Cristal·lografia
Layer structure (Solids)
Crystallography
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spelling Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzeneGuerrero, MiguelPons, JosefinaFont Bardia, Ma. MercedesCalvet Pallàs, Maria TeresaRos, JosepEstructura cristal·lina (Sòlids)Cristal·lografiaLayer structure (Solids)CrystallographyThe crystal structure of the title compound C22H30N4O2 H2O (L), has been determined using X-ray diffraction at 293 K. The crystal of 1,2-bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene is in triclinic crystal system with space group P(-1) (Z = 2), lattice parameters a = 8.225(6) A ° , b= 10.967(6) A ° , c=12.903(6) A ° , V = 1119.1(11) A ° 3. Analyses of single crystals of L, crystallized from dichloromethane/diethyl ether (1:1), revealed that the molecules are arranged in couples, which adopt a pseudo chair conformation, by means of intermolecular O-H N hydrogen bonding interactions. Moreover, the extended structure revealed a 1D chain caused by several C-H N intermolecular interactions.Springer Verlag2024202420112024info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersion20 p.application/pdfhttps://hdl.handle.net/2445/213300Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésVersió postprint del document publicat a: https://doi.org/10.1007/s10870-010-9960-yJournal of Chemical Crystallography, 2011, vol. 41, p. 721-726https://doi.org/10.1007/s10870-010-9960-y(c) Springer Verlag, 2011info:eu-repo/semantics/openAccessoai:recercat.cat:2445/2133002026-05-29T05:05:01Z
dc.title.none.fl_str_mv Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene
title Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene
spellingShingle Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene
Guerrero, Miguel
Estructura cristal·lina (Sòlids)
Cristal·lografia
Layer structure (Solids)
Crystallography
title_short Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene
title_full Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene
title_fullStr Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene
title_full_unstemmed Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene
title_sort Synthesis, Structural Characterization and Spectroscopic Properties of 1,2-Bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene
dc.creator.none.fl_str_mv Guerrero, Miguel
Pons, Josefina
Font Bardia, Ma. Mercedes
Calvet Pallàs, Maria Teresa
Ros, Josep
author Guerrero, Miguel
author_facet Guerrero, Miguel
Pons, Josefina
Font Bardia, Ma. Mercedes
Calvet Pallàs, Maria Teresa
Ros, Josep
author_role author
author2 Pons, Josefina
Font Bardia, Ma. Mercedes
Calvet Pallàs, Maria Teresa
Ros, Josep
author2_role author
author
author
author
dc.subject.none.fl_str_mv Estructura cristal·lina (Sòlids)
Cristal·lografia
Layer structure (Solids)
Crystallography
topic Estructura cristal·lina (Sòlids)
Cristal·lografia
Layer structure (Solids)
Crystallography
description The crystal structure of the title compound C22H30N4O2 H2O (L), has been determined using X-ray diffraction at 293 K. The crystal of 1,2-bis[4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxobutyl]benzene is in triclinic crystal system with space group P(-1) (Z = 2), lattice parameters a = 8.225(6) A ° , b= 10.967(6) A ° , c=12.903(6) A ° , V = 1119.1(11) A ° 3. Analyses of single crystals of L, crystallized from dichloromethane/diethyl ether (1:1), revealed that the molecules are arranged in couples, which adopt a pseudo chair conformation, by means of intermolecular O-H N hydrogen bonding interactions. Moreover, the extended structure revealed a 1D chain caused by several C-H N intermolecular interactions.
publishDate 2011
dc.date.none.fl_str_mv 2011
2024
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/213300
url https://hdl.handle.net/2445/213300
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Versió postprint del document publicat a: https://doi.org/10.1007/s10870-010-9960-y
Journal of Chemical Crystallography, 2011, vol. 41, p. 721-726
https://doi.org/10.1007/s10870-010-9960-y
dc.rights.none.fl_str_mv (c) Springer Verlag, 2011
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) Springer Verlag, 2011
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 20 p.
application/pdf
dc.publisher.none.fl_str_mv Springer Verlag
publisher.none.fl_str_mv Springer Verlag
dc.source.none.fl_str_mv Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.812429

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