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

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- an...

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Detalles Bibliográficos
Autores principales:	Ellena, Javier Alcides, Punte, Graciela María del Carmen, Rivero, Blas Eduardo, Remedi, M. V., De Vargas, E. B., Rossi, R. H. de
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	1995
Materias:	Física Dinitrobenzene derivatives l-piperidine-2,4-dinitrobenzene 2,4-dinitrobenzene molecular conformation spectroscopic study structural determination
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/141306
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

id	I19-R120-10915-141306
record_format	dspace
institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Física Dinitrobenzene derivatives l-piperidine-2,4-dinitrobenzene 2,4-dinitrobenzene molecular conformation spectroscopic study structural determination
spellingShingle	Física Dinitrobenzene derivatives l-piperidine-2,4-dinitrobenzene 2,4-dinitrobenzene molecular conformation spectroscopic study structural determination Ellena, Javier Alcides Punte, Graciela María del Carmen Rivero, Blas Eduardo Remedi, M. V. De Vargas, E. B. Rossi, R. H. de X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
topic_facet	Física Dinitrobenzene derivatives l-piperidine-2,4-dinitrobenzene 2,4-dinitrobenzene molecular conformation spectroscopic study structural determination
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.
format	Articulo Articulo
author	Ellena, Javier Alcides Punte, Graciela María del Carmen Rivero, Blas Eduardo Remedi, M. V. De Vargas, E. B. Rossi, R. H. de
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_sort	Ellena, Javier Alcides
title	X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene
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
publishDate	1995
url	http://sedici.unlp.edu.ar/handle/10915/141306
work_keys_str_mv	AT ellenajavieralcides xraystructuralandspectroscopicinvestigationof1piperidine24dinitrobenzene AT puntegracielamariadelcarmen xraystructuralandspectroscopicinvestigationof1piperidine24dinitrobenzene AT riveroblaseduardo xraystructuralandspectroscopicinvestigationof1piperidine24dinitrobenzene AT remedimv xraystructuralandspectroscopicinvestigationof1piperidine24dinitrobenzene AT devargaseb xraystructuralandspectroscopicinvestigationof1piperidine24dinitrobenzene AT rossirhde xraystructuralandspectroscopicinvestigationof1piperidine24dinitrobenzene
bdutipo_str	Repositorios
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X-ray structural and spectroscopic investigation of 1-piperidine-2,4-dinitrobenzene

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