Cargando…

Ethyl 4-(tert-butyl­amino)-3-nitro­benzoate

In the title compound, C(13)H(18)N(2)O(4), intra­molecular N—H⋯O, N—H⋯N and C—H⋯O (× 3) hydrogen bonds generate S(6) and S(5) ring motifs. There are two crystallographically independent mol­ecules (A and B) in the asymmetric unit. The nitro group is coplanar with the benzene ring, with O—N—C—C torsi...

Descripción completa

Detalles Bibliográficos
Autores principales: Mohd. Maidin, Siti Marina, Abdul Rahim, Aisyah Saad, Osman, Hasnah, Kia, Reza, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962174/
https://www.ncbi.nlm.nih.gov/pubmed/21203254
http://dx.doi.org/10.1107/S160053680802206X
_version_ 1782189157730222080
author Mohd. Maidin, Siti Marina
Abdul Rahim, Aisyah Saad
Osman, Hasnah
Kia, Reza
Fun, Hoong-Kun
author_facet Mohd. Maidin, Siti Marina
Abdul Rahim, Aisyah Saad
Osman, Hasnah
Kia, Reza
Fun, Hoong-Kun
author_sort Mohd. Maidin, Siti Marina
collection PubMed
description In the title compound, C(13)H(18)N(2)O(4), intra­molecular N—H⋯O, N—H⋯N and C—H⋯O (× 3) hydrogen bonds generate S(6) and S(5) ring motifs. There are two crystallographically independent mol­ecules (A and B) in the asymmetric unit. The nitro group is coplanar with the benzene ring, with O—N—C—C torsion angles of −0.33 (13) and 0.93 (14)° in mol­ecules A and B, respectively. In the crystal structure, neighbouring mol­ecules are linked together by inter­molecular C—H⋯O hydrogen bonds. In addition, the crystal structure is stabilized by π–π inter­actions with centroid–centroid distances ranging from 3.7853 (6) to 3.8625 (6) Å.
format Text
id pubmed-2962174
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29621742010-12-30 Ethyl 4-(tert-butyl­amino)-3-nitro­benzoate Mohd. Maidin, Siti Marina Abdul Rahim, Aisyah Saad Osman, Hasnah Kia, Reza Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(18)N(2)O(4), intra­molecular N—H⋯O, N—H⋯N and C—H⋯O (× 3) hydrogen bonds generate S(6) and S(5) ring motifs. There are two crystallographically independent mol­ecules (A and B) in the asymmetric unit. The nitro group is coplanar with the benzene ring, with O—N—C—C torsion angles of −0.33 (13) and 0.93 (14)° in mol­ecules A and B, respectively. In the crystal structure, neighbouring mol­ecules are linked together by inter­molecular C—H⋯O hydrogen bonds. In addition, the crystal structure is stabilized by π–π inter­actions with centroid–centroid distances ranging from 3.7853 (6) to 3.8625 (6) Å. International Union of Crystallography 2008-07-19 /pmc/articles/PMC2962174/ /pubmed/21203254 http://dx.doi.org/10.1107/S160053680802206X Text en © Mohd. Maidin et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Mohd. Maidin, Siti Marina
Abdul Rahim, Aisyah Saad
Osman, Hasnah
Kia, Reza
Fun, Hoong-Kun
Ethyl 4-(tert-butyl­amino)-3-nitro­benzoate
title Ethyl 4-(tert-butyl­amino)-3-nitro­benzoate
title_full Ethyl 4-(tert-butyl­amino)-3-nitro­benzoate
title_fullStr Ethyl 4-(tert-butyl­amino)-3-nitro­benzoate
title_full_unstemmed Ethyl 4-(tert-butyl­amino)-3-nitro­benzoate
title_short Ethyl 4-(tert-butyl­amino)-3-nitro­benzoate
title_sort ethyl 4-(tert-butyl­amino)-3-nitro­benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962174/
https://www.ncbi.nlm.nih.gov/pubmed/21203254
http://dx.doi.org/10.1107/S160053680802206X
work_keys_str_mv AT mohdmaidinsitimarina ethyl4tertbutylamino3nitrobenzoate
AT abdulrahimaisyahsaad ethyl4tertbutylamino3nitrobenzoate
AT osmanhasnah ethyl4tertbutylamino3nitrobenzoate
AT kiareza ethyl4tertbutylamino3nitrobenzoate
AT funhoongkun ethyl4tertbutylamino3nitrobenzoate