Cargando…
2-Amino-4-nitrophenol–1-(2,4,6-trihydroxyphenyl)ethanone (1/1)
In the title compound, C(6)H(6)N(2)O(3)·C(8)H(8)O(4), the 2-amino-4-nitrophenol (ANP) and 1-(2,4,6-trihydroxyphenyl)ethanone (THA) molecules are both nearly planar, with r.m.s. deviations of 0.0630 and 0.0313 Å, respectively. The angle between the least-squares planes of THA and ANP is 48.99 (2...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344630/ https://www.ncbi.nlm.nih.gov/pubmed/22590392 http://dx.doi.org/10.1107/S1600536812017497 |
_version_ | 1782232035606134784 |
---|---|
author | Kocabıyık, Can Paşaoğlu, Hümeyra Basılı, Taşkın Ağar, Erbil |
author_facet | Kocabıyık, Can Paşaoğlu, Hümeyra Basılı, Taşkın Ağar, Erbil |
author_sort | Kocabıyık, Can |
collection | PubMed |
description | In the title compound, C(6)H(6)N(2)O(3)·C(8)H(8)O(4), the 2-amino-4-nitrophenol (ANP) and 1-(2,4,6-trihydroxyphenyl)ethanone (THA) molecules are both nearly planar, with r.m.s. deviations of 0.0630 and 0.0313 Å, respectively. The angle between the least-squares planes of THA and ANP is 48.99 (2)°. In THA, an intramolecular O—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds lead to the formation of a three-dimensional network. There are also intermolecular π–π interactions between the benzene rings of ANP–ANP and of THA–THA molecules, with centroid–centroid distances of 3.5313 (14) and 3.8440 (16) Å, respectively. Weak C—O⋯π and N—O⋯π interactions also occur. |
format | Online Article Text |
id | pubmed-3344630 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33446302012-05-15 2-Amino-4-nitrophenol–1-(2,4,6-trihydroxyphenyl)ethanone (1/1) Kocabıyık, Can Paşaoğlu, Hümeyra Basılı, Taşkın Ağar, Erbil Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(6)H(6)N(2)O(3)·C(8)H(8)O(4), the 2-amino-4-nitrophenol (ANP) and 1-(2,4,6-trihydroxyphenyl)ethanone (THA) molecules are both nearly planar, with r.m.s. deviations of 0.0630 and 0.0313 Å, respectively. The angle between the least-squares planes of THA and ANP is 48.99 (2)°. In THA, an intramolecular O—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds lead to the formation of a three-dimensional network. There are also intermolecular π–π interactions between the benzene rings of ANP–ANP and of THA–THA molecules, with centroid–centroid distances of 3.5313 (14) and 3.8440 (16) Å, respectively. Weak C—O⋯π and N—O⋯π interactions also occur. International Union of Crystallography 2012-04-25 /pmc/articles/PMC3344630/ /pubmed/22590392 http://dx.doi.org/10.1107/S1600536812017497 Text en © Kocabıyık et al. 2012 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 Kocabıyık, Can Paşaoğlu, Hümeyra Basılı, Taşkın Ağar, Erbil 2-Amino-4-nitrophenol–1-(2,4,6-trihydroxyphenyl)ethanone (1/1) |
title | 2-Amino-4-nitrophenol–1-(2,4,6-trihydroxyphenyl)ethanone (1/1) |
title_full | 2-Amino-4-nitrophenol–1-(2,4,6-trihydroxyphenyl)ethanone (1/1) |
title_fullStr | 2-Amino-4-nitrophenol–1-(2,4,6-trihydroxyphenyl)ethanone (1/1) |
title_full_unstemmed | 2-Amino-4-nitrophenol–1-(2,4,6-trihydroxyphenyl)ethanone (1/1) |
title_short | 2-Amino-4-nitrophenol–1-(2,4,6-trihydroxyphenyl)ethanone (1/1) |
title_sort | 2-amino-4-nitrophenol–1-(2,4,6-trihydroxyphenyl)ethanone (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344630/ https://www.ncbi.nlm.nih.gov/pubmed/22590392 http://dx.doi.org/10.1107/S1600536812017497 |
work_keys_str_mv | AT kocabıyıkcan 2amino4nitrophenol1246trihydroxyphenylethanone11 AT pasaogluhumeyra 2amino4nitrophenol1246trihydroxyphenylethanone11 AT basılıtaskın 2amino4nitrophenol1246trihydroxyphenylethanone11 AT agarerbil 2amino4nitrophenol1246trihydroxyphenylethanone11 |