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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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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 |
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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 |
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