ISSN:
1572-8854
Keywords:
Dinitrobenzene derivatives
;
1-piperidine-2,4-dinitrobenzene
;
2,4-dinitrobenzene
;
molecular conformation
;
spectroscopic study
;
structural determination
Source:
Springer Online Journal Archives 1860-2000
Topics:
Geosciences
,
Physics
Notes:
Abstract 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)Å, β=102.05(2)°, andD x=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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01671074
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