Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline
- Autores
- Ellena, Javier Alcides; Punte, Graciela María del Carmen; Rivero, Blas Eduardo
- Año de publicación
- 1996
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- 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.
Facultad de Ciencias Exactas - Materia
-
Química
Física
Nitroaniline derivatives
2-methyl-5-nitroaniline
nonlinear optic
spectroscopic study
structure determination
hydrogen bonds - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by/4.0/
- Repositorio
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/139221
Ver los metadatos del registro completo
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Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroanilineEllena, Javier AlcidesPunte, Graciela María del CarmenRivero, Blas EduardoQuímicaFísicaNitroaniline derivatives2-methyl-5-nitroanilinenonlinear opticspectroscopic studystructure determinationhydrogen bondsThe 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.Facultad de Ciencias Exactas1996info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf319-324http://sedici.unlp.edu.ar/handle/10915/139221enginfo:eu-repo/semantics/altIdentifier/issn/1074-1542info:eu-repo/semantics/altIdentifier/issn/1572-8854info:eu-repo/semantics/altIdentifier/issn/0308-4086info:eu-repo/semantics/altIdentifier/issn/0277-8068info:eu-repo/semantics/altIdentifier/doi/10.1007/bf01677094info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:32:02Zoai:sedici.unlp.edu.ar:10915/139221Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:32:02.446SEDICI (UNLP) - Universidad Nacional de La Platafalse |
dc.title.none.fl_str_mv |
Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline |
title |
Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline |
spellingShingle |
Conformational studies of substituted nitroanilines : Geometry of 2-methyl-5-nitroaniline Ellena, Javier Alcides Química Física Nitroaniline derivatives 2-methyl-5-nitroaniline nonlinear optic spectroscopic study structure determination hydrogen bonds |
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 |
dc.creator.none.fl_str_mv |
Ellena, Javier Alcides Punte, Graciela María del Carmen Rivero, Blas Eduardo |
author |
Ellena, Javier Alcides |
author_facet |
Ellena, Javier Alcides Punte, Graciela María del Carmen Rivero, Blas Eduardo |
author_role |
author |
author2 |
Punte, Graciela María del Carmen Rivero, Blas Eduardo |
author2_role |
author author |
dc.subject.none.fl_str_mv |
Química Física Nitroaniline derivatives 2-methyl-5-nitroaniline nonlinear optic spectroscopic study structure determination hydrogen bonds |
topic |
Química Física Nitroaniline derivatives 2-methyl-5-nitroaniline nonlinear optic spectroscopic study structure determination hydrogen bonds |
dc.description.none.fl_txt_mv |
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. Facultad de Ciencias Exactas |
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. |
publishDate |
1996 |
dc.date.none.fl_str_mv |
1996 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Articulo http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://sedici.unlp.edu.ar/handle/10915/139221 |
url |
http://sedici.unlp.edu.ar/handle/10915/139221 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/issn/1074-1542 info:eu-repo/semantics/altIdentifier/issn/1572-8854 info:eu-repo/semantics/altIdentifier/issn/0308-4086 info:eu-repo/semantics/altIdentifier/issn/0277-8068 info:eu-repo/semantics/altIdentifier/doi/10.1007/bf01677094 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/4.0/ Creative Commons Attribution 4.0 International (CC BY 4.0) |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
http://creativecommons.org/licenses/by/4.0/ Creative Commons Attribution 4.0 International (CC BY 4.0) |
dc.format.none.fl_str_mv |
application/pdf 319-324 |
dc.source.none.fl_str_mv |
reponame:SEDICI (UNLP) instname:Universidad Nacional de La Plata instacron:UNLP |
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Universidad Nacional de La Plata |
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UNLP |
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UNLP |
repository.name.fl_str_mv |
SEDICI (UNLP) - Universidad Nacional de La Plata |
repository.mail.fl_str_mv |
alira@sedici.unlp.edu.ar |
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