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...
| Autores principales: | , , , , , |
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| Formato: | Articulo |
| Lenguaje: | Inglés |
| Publicado: |
1995
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/141306 |
| Aporte de: |
| id |
I19-R120-10915-141306 |
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| 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 |
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Repositorios |
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1764820458743529472 |