Abstract:
In the title compound, C 13 H 11 N 3 O 4 , the substituted aromatic ring has a slightly deformed chair conformation and the unsubstituted ring a deformed boat conformation. The dihedral angle between the mean planes of the rings is 62.9 (1)°. The o-nitro group is twisted out of the plane of the phenyl ring. Short C-H⋯O intermolecular contacts stabilize the three-dimensional structure.
Registro:
Documento: |
Artículo
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Título: | 2,4-dinitro-N,N-methylphenylaniline |
Autor: | Ellena, J.; Punte, G.; Nudelman, N.S. |
Filiación: | Departamento de Física, Facultad de Ciencias Exactas, Universidad National de La Plata, CC 67, (1900) La Plata, Argentina Departamento de Química, Universidad National de Buenos Aires, Ciudad Universitaria, Buenos Aires, Argentina
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Palabras clave: | Aromatic compounds; Conformations; Hydrogen bonds; Molecular structure; Dinitromethylphenylaniline; Nitrogen compounds |
Año: | 1997
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Volumen: | 53
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Número: | 12
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Página de inicio: | 1930
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Página de fin: | 1932
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DOI: |
http://dx.doi.org/10.1107/S0108270197007403 |
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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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01082701_v53_n12_p1930_Ellena |
Referencias:
- Allen, F.H., Kennard, O., (1993) Chem. Des. Autom. News, 8, pp. 131-136
- Calopietro, M., Domenicano, A., Marciante, C., Portalone, G., (1981) Acta Cryst., A37, pp. C-199
- 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.H., (1995) J. Chem. Crystallogr., 25, pp. 801-805
- Ellena, J., Punte, G., Rivero, B.E., (1996) J. Chem. Crystallogr., 26, pp. 319-324
- Ellena, J., Punte, G., Rivero, B.E., (1996) Acta Cryst., C52, pp. 2074-2076
- (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
- Johnson, C.K., (1976) ORTEPII, , Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA
- Lipscomb, G.F., Garito, A.F., Narang, R.S., (1981) J. Chem. Phys., 75, pp. 1509-1516
- Mak, T.C.W., Trotter, J., (1965) Acta Cryst., 18, pp. 68-74
- Maurin, J.K., Krygowski, T.M., (1986) Acta Cryst., C43, pp. 64-66
- Prasad, L., Gabe, E.J., Le Page, Y., (1981) Acta Cryst., B38, pp. 674-675
- Punte, G., Rivero, B.E., (1991) Acta Cryst., C47, pp. 2118-2122
- Punte, G., Rivero, B.E., Socolovsky, S.E., Nudelman, N.S., (1987) Acta Cryst., A43, pp. C-169
- Punte, G., Rivero, B.E., Socolovsky, S.E., Nudelman, N.S., (1989) Acta Cryst., C45, pp. 1952-1957
- Punte, G., Rivero, B.E., Socolovsky, S.E., Nudelman, N.S., (1991) Acta Cryst., C47, pp. 1222-1227
- Sheldrick, G.M., (1990) Acta Cryst., A46, pp. 467-473
- Sheldrick, G.M., (1993) SHELXL93. Program for the Refinement of Crystal Structures, , University of Göttingen, Germany
Citas:
---------- APA ----------
Ellena, J., Punte, G. & Nudelman, N.S.
(1997)
. 2,4-dinitro-N,N-methylphenylaniline. Acta Crystallographica Section C: Crystal Structure Communications, 53(12), 1930-1932.
http://dx.doi.org/10.1107/S0108270197007403---------- CHICAGO ----------
Ellena, J., Punte, G., Nudelman, N.S.
"2,4-dinitro-N,N-methylphenylaniline"
. Acta Crystallographica Section C: Crystal Structure Communications 53, no. 12
(1997) : 1930-1932.
http://dx.doi.org/10.1107/S0108270197007403---------- MLA ----------
Ellena, J., Punte, G., Nudelman, N.S.
"2,4-dinitro-N,N-methylphenylaniline"
. Acta Crystallographica Section C: Crystal Structure Communications, vol. 53, no. 12, 1997, pp. 1930-1932.
http://dx.doi.org/10.1107/S0108270197007403---------- VANCOUVER ----------
Ellena, J., Punte, G., Nudelman, N.S. 2,4-dinitro-N,N-methylphenylaniline. Acta Crystallogr Sect C Cryst Struct Commun. 1997;53(12):1930-1932.
http://dx.doi.org/10.1107/S0108270197007403