X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene

Autores
Ellena, Javier Alcides; Punte, Graciela María del Carmen; Rivero, Blas Eduardo; Remedi, M. V.; De Vargas, E. B.; Rossi, R. H. de
Año de publicación
1995
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The crystal structure of the title compound (C11H13N3O4) has been determined by single-crystal X-ray diffraction. The compound is monoclinic, space group P21/n, witha=9.968(2),b=9.156(2),c=13.249(2)A, β=102.05(2)°, andDx=1.563 gcm−3 forZ=4. The aromatic ring shows a slight boat deformation. Theo- andp-NO2 groups are twisted out of the plane of the phenyl ring by 39.0(2)° and 4.4(1)°, respectively. The piperidine ring exhibits a slightly deformed chair conformation. Short C−H...O intermolecular contacts stabilize the three dimensional structure. UV and NMR data indicate that the molecule in solution presents a conformation similar to that of the the solid state.
Facultad de Ciencias Exactas
Materia
Física
Dinitrobenzene derivatives
l-piperidine-2,4-dinitrobenzene
2,4-dinitrobenzene
molecular conformation
spectroscopic study
structural determination
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/141306
Acceder
id SEDICI_097ad00893529fe4c1e79d8ee9c3fa03
oai_identifier_str oai:sedici.unlp.edu.ar:10915/141306
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzeneEllena, Javier AlcidesPunte, Graciela María del CarmenRivero, Blas EduardoRemedi, M. V.De Vargas, E. B.Rossi, R. H. deFísicaDinitrobenzene derivativesl-piperidine-2,4-dinitrobenzene2,4-dinitrobenzenemolecular conformationspectroscopic studystructural determinationThe crystal structure of the title compound (C11H13N3O4) has been determined by single-crystal X-ray diffraction. The compound is monoclinic, space group P21/n, witha=9.968(2),b=9.156(2),c=13.249(2)A, β=102.05(2)°, andDx=1.563 gcm−3 forZ=4. The aromatic ring shows a slight boat deformation. Theo- andp-NO2 groups are twisted out of the plane of the phenyl ring by 39.0(2)° and 4.4(1)°, respectively. The piperidine ring exhibits a slightly deformed chair conformation. Short C−H...O intermolecular contacts stabilize the three dimensional structure. UV and NMR data indicate that the molecule in solution presents a conformation similar to that of the the solid state.Facultad de Ciencias Exactas1995info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf801-805http://sedici.unlp.edu.ar/handle/10915/141306enginfo:eu-repo/semantics/altIdentifier/issn/1074-1542info:eu-repo/semantics/altIdentifier/issn/1572-8854info:eu-repo/semantics/altIdentifier/doi/10.1007/bf01671074info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-03T11:03:59Zoai:sedici.unlp.edu.ar:10915/141306Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-03 11:03:59.728SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
title X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
spellingShingle X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
Ellena, Javier Alcides
Física
Dinitrobenzene derivatives
l-piperidine-2,4-dinitrobenzene
2,4-dinitrobenzene
molecular conformation
spectroscopic study
structural determination
title_short X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
title_full X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
title_fullStr X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
title_full_unstemmed X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
title_sort X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
dc.creator.none.fl_str_mv Ellena, Javier Alcides
Punte, Graciela María del Carmen
Rivero, Blas Eduardo
Remedi, M. V.
De Vargas, E. B.
Rossi, R. H. de
author Ellena, Javier Alcides
author_facet Ellena, Javier Alcides
Punte, Graciela María del Carmen
Rivero, Blas Eduardo
Remedi, M. V.
De Vargas, E. B.
Rossi, R. H. de
author_role author
author2 Punte, Graciela María del Carmen
Rivero, Blas Eduardo
Remedi, M. V.
De Vargas, E. B.
Rossi, R. H. de
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Física
Dinitrobenzene derivatives
l-piperidine-2,4-dinitrobenzene
2,4-dinitrobenzene
molecular conformation
spectroscopic study
structural determination
topic Física
Dinitrobenzene derivatives
l-piperidine-2,4-dinitrobenzene
2,4-dinitrobenzene
molecular conformation
spectroscopic study
structural determination
dc.description.none.fl_txt_mv The crystal structure of the title compound (C11H13N3O4) has been determined by single-crystal X-ray diffraction. The compound is monoclinic, space group P21/n, witha=9.968(2),b=9.156(2),c=13.249(2)A, β=102.05(2)°, andDx=1.563 gcm−3 forZ=4. The aromatic ring shows a slight boat deformation. Theo- andp-NO2 groups are twisted out of the plane of the phenyl ring by 39.0(2)° and 4.4(1)°, respectively. The piperidine ring exhibits a slightly deformed chair conformation. Short C−H...O intermolecular contacts stabilize the three dimensional structure. UV and NMR data indicate that the molecule in solution presents a conformation similar to that of the the solid state.
Facultad de Ciencias Exactas
description The crystal structure of the title compound (C11H13N3O4) has been determined by single-crystal X-ray diffraction. The compound is monoclinic, space group P21/n, witha=9.968(2),b=9.156(2),c=13.249(2)A, β=102.05(2)°, andDx=1.563 gcm−3 forZ=4. The aromatic ring shows a slight boat deformation. Theo- andp-NO2 groups are twisted out of the plane of the phenyl ring by 39.0(2)° and 4.4(1)°, respectively. The piperidine ring exhibits a slightly deformed chair conformation. Short C−H...O intermolecular contacts stabilize the three dimensional structure. UV and NMR data indicate that the molecule in solution presents a conformation similar to that of the the solid state.
publishDate 1995
dc.date.none.fl_str_mv 1995
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/141306
url http://sedici.unlp.edu.ar/handle/10915/141306
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/1074-1542
info:eu-repo/semantics/altIdentifier/issn/1572-8854
info:eu-repo/semantics/altIdentifier/doi/10.1007/bf01671074
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
801-805
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.13397

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