Abstract:
The crystal structure of the title compound, C12H8-N2O6S, has been determined by single-crystal X-ray diffraction. The compound crystallizes in the noncentrosymmetric P21 space group. The substituted aromatic ring has a slightly deformed boat conformation. The ο-NO2 and p-NO2 groups are twisted out of the plane of the phenyl ring. The unsubstituted aromatic ring is planar and the dihedral angle between the mean plane of the rings is 71.1 (2)○. Short C - H⋯O intermolecular contacts stabilize the three-dimensional structure.
Registro:
Documento: |
Artículo
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Título: | 2,4-Dinitrophenyl phenyl sulfone |
Autor: | Ellena, J.; Punte, G.; Nudelman, N.S. |
Filiación: | Departamento de Física, Facultad de Ciencias Exactus, Universidad Nacional de La Plata, CC67, (1900) - La Plata, Argentina Departamento de Química, Fac. de Ciencias Exactas Y Naturales, Universidad Nacional de Buenos Aires, Buenos Aires, Argentina
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Palabras clave: | Bond strength (chemical); Chemical bonds; Conformations; Crystal structure; Molecular structure; Single crystals; Sulfur compounds; X ray crystallography; Boat conformations; Phenyl ring; Aromatic compounds |
Año: | 1996
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Volumen: | 52
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Número: | 11
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Página de inicio: | 2929
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Página de fin: | 2932
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DOI: |
http://dx.doi.org/10.1107/S0108270196008736 |
Título revista: | Acta Crystallographica Section C: Crystal Structure Communications
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Título revista abreviado: | Acta Crystallogr Sect C Cryst Struct Commun
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ISSN: | 01082701
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CODEN: | ACSCE
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PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_01082701_v52_n11_p2929_Ellena.pdf |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v52_n11_p2929_Ellena |
Referencias:
- Allen, F.H., Kennard, O., (1993) Chem. Des. Autom. News, 8, pp. 131-137
- Allen, F.H., Kennard, O., Watson, D.G., Brammer, L., Orpen, A.G., Taylor, R., (1987) J. Chem. Soc. Perkin Trans. 2, pp. S1-S19
- Bost, R.W., Turner, J.O., Norton, N.S., (1932) J. Am. Chem. Soc., 54, pp. 1985-1987
- Bunnett, J.F., Nudelman, N.S., (1969) J. Org. Chem., 34, pp. 2038-2042
- Cremer, D., Pople, J.A., (1975) J. Am. Chem. Soc., 97, pp. 1354-1358
- Domenicano, A., Schultz, G., Hargittai, I., Colapietro, M., Portalone, G., George, P., Bock, C.W., (1989) Struct. Chem., 1, pp. 107-122
- Ellena, J., Punte, G., Rivero, B.E., Remedi, M.V., De Vargas, E.B., De Rossi, R., (1995) J. Chem. Crystallogr., 12, pp. 801-805
- (1993) CAD-4/PC. Version 1.2, , Enraf-Nonius, Delft, The Netherlands
- Fair, C.K., (1990) MolEN. An Interactive Intelligent System for Crystal Structure Analysis, , Enraf-Nonius, Delft, The Netherlands
- Flack, H.D., (1983) Acta Cryst., A39, pp. 876-881
- Johnson, C.K., (1976) ORTEPII, , Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA
- Nardelli, M., (1983) Comput. Chem., 7, pp. 95-98
- Sheldrick, G.M., (1985) SHELXS86. Program for the Solution of Crystal Structures, , University of Göttingen, Germany
- Sheldrick, G.M., (1992) SHELXL93. Program for the Refinement of Crystal Structures, , Beta test version. University of Göttingen, Germany
- Spek, A.L., (1990) Acta Cryst., A46, pp. C-34
Citas:
---------- APA ----------
Ellena, J., Punte, G. & Nudelman, N.S.
(1996)
. 2,4-Dinitrophenyl phenyl sulfone. Acta Crystallographica Section C: Crystal Structure Communications, 52(11), 2929-2932.
http://dx.doi.org/10.1107/S0108270196008736---------- CHICAGO ----------
Ellena, J., Punte, G., Nudelman, N.S.
"2,4-Dinitrophenyl phenyl sulfone"
. Acta Crystallographica Section C: Crystal Structure Communications 52, no. 11
(1996) : 2929-2932.
http://dx.doi.org/10.1107/S0108270196008736---------- MLA ----------
Ellena, J., Punte, G., Nudelman, N.S.
"2,4-Dinitrophenyl phenyl sulfone"
. Acta Crystallographica Section C: Crystal Structure Communications, vol. 52, no. 11, 1996, pp. 2929-2932.
http://dx.doi.org/10.1107/S0108270196008736---------- VANCOUVER ----------
Ellena, J., Punte, G., Nudelman, N.S. 2,4-Dinitrophenyl phenyl sulfone. Acta Crystallogr Sect C Cryst Struct Commun. 1996;52(11):2929-2932.
http://dx.doi.org/10.1107/S0108270196008736