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
Descripción
Sumario: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.

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