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: | , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 1995 |
| País: | Argentina |
| Institución: | Universidad Nacional de La Plata |
| Repositorio: | SEDICI (UNLP) |
| Idioma: | inglés |
| OAI Identifier: | oai:sedici.unlp.edu.ar:10915/141306 |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/141306 |
| Access Level: | acceso abierto |
| Palabra clave: | Física Dinitrobenzene derivatives l-piperidine-2,4-dinitrobenzene 2,4-dinitrobenzene molecular conformation spectroscopic study structural determination |
| 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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