Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline

The title compound (C7H8N2O2), is monoclinic, space group P21/n, witha=9.552(2),b=5.677(2),c=13.586(3)A, β=92.68(2)0, andDx=1.374 g-cm−3 forZ=4. The refinement converged toR=0.043,wR=0.038. The molecule is approximately planar, with dihedral angles of 3.7(2.1)0 between the amino group and the aromat...

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Detalles Bibliográficos
Autores principales: Ellena, Javier Alcides, Punte, Graciela María del Carmen, Rivero, Blas Eduardo
Formato: Articulo
Lenguaje:Inglés
Publicado: 1996
Materias:
Química
Física
Nitroaniline derivatives
2-methyl-5-nitroaniline
nonlinear optic
spectroscopic study
structure determination
hydrogen bonds
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/139221
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-139221
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
Física
Nitroaniline derivatives
2-methyl-5-nitroaniline
nonlinear optic
spectroscopic study
structure determination
hydrogen bonds
spellingShingle Química
Física
Nitroaniline derivatives
2-methyl-5-nitroaniline
nonlinear optic
spectroscopic study
structure determination
hydrogen bonds
Ellena, Javier Alcides
Punte, Graciela María del Carmen
Rivero, Blas Eduardo
Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline
topic_facet Química
Física
Nitroaniline derivatives
2-methyl-5-nitroaniline
nonlinear optic
spectroscopic study
structure determination
hydrogen bonds
description The title compound (C7H8N2O2), is monoclinic, space group P21/n, witha=9.552(2),b=5.677(2),c=13.586(3)A, β=92.68(2)0, andDx=1.374 g-cm−3 forZ=4. The refinement converged toR=0.043,wR=0.038. The molecule is approximately planar, with dihedral angles of 3.7(2.1)0 between the amino group and the aromatic ring, and 3.2(2)0 between the nitro group and the ring. According to the UV spectrum in solution, the molecular geometry indicates weak intramolecular charge transfer. The three-dimensional structure is stabilized by three intermolecular H bonds. A bifurcated one induces the formation of chains along\([10\bar 1]\), while the other two link molecules that belong to adjacent chains and are related by an inversion center.
format Articulo
Articulo
author Ellena, Javier Alcides
Punte, Graciela María del Carmen
Rivero, Blas Eduardo
author_facet Ellena, Javier Alcides
Punte, Graciela María del Carmen
Rivero, Blas Eduardo
author_sort Ellena, Javier Alcides
title Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline
title_short Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline
title_full Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline
title_fullStr Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline
title_full_unstemmed Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline
title_sort conformational studies of substituted nitroanilines : geometry of 2-methyl-5-nitroaniline
publishDate 1996
url http://sedici.unlp.edu.ar/handle/10915/139221
work_keys_str_mv AT ellenajavieralcides conformationalstudiesofsubstitutednitroanilinesgeometryof2methyl5nitroaniline
AT puntegracielamariadelcarmen conformationalstudiesofsubstitutednitroanilinesgeometryof2methyl5nitroaniline
AT riveroblaseduardo conformationalstudiesofsubstitutednitroanilinesgeometryof2methyl5nitroaniline
bdutipo_str Repositorios
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