Cargando…
Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate
In the racemic title compound, C(24)H(25)NO(9), the dihedral angle between the planes of the two benzene-ring systems is 80.16 (6)°, while the side-chain conformation is stabilized by a methylene–carboxyl C—H⋯O hydrogen bond. Weak intermolecular C—H⋯O hydrogen bonds form inversion dimers [graph se...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770977/ https://www.ncbi.nlm.nih.gov/pubmed/26958401 http://dx.doi.org/10.1107/S2056989016001432 |
_version_ | 1782418351496101888 |
---|---|
author | May, Nóra Veronika Gál, Gyula Tamás Rapi, Zsolt Bakó, Péter |
author_facet | May, Nóra Veronika Gál, Gyula Tamás Rapi, Zsolt Bakó, Péter |
author_sort | May, Nóra Veronika |
collection | PubMed |
description | In the racemic title compound, C(24)H(25)NO(9), the dihedral angle between the planes of the two benzene-ring systems is 80.16 (6)°, while the side-chain conformation is stabilized by a methylene–carboxyl C—H⋯O hydrogen bond. Weak intermolecular C—H⋯O hydrogen bonds form inversion dimers [graph set R (2) (2)(16)] which are linked into chains extending along a. Further C—H⋯O hydrogen bonding extends the structure along b through cyclic R (2) (2)(10) motifs. Although no π–π aromatic ring interactions are present in the structure, C—H⋯π ring interactions across c generate an overall three-dimensional supramolecular structure. |
format | Online Article Text |
id | pubmed-4770977 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47709772016-03-08 Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate May, Nóra Veronika Gál, Gyula Tamás Rapi, Zsolt Bakó, Péter Acta Crystallogr E Crystallogr Commun Research Communications In the racemic title compound, C(24)H(25)NO(9), the dihedral angle between the planes of the two benzene-ring systems is 80.16 (6)°, while the side-chain conformation is stabilized by a methylene–carboxyl C—H⋯O hydrogen bond. Weak intermolecular C—H⋯O hydrogen bonds form inversion dimers [graph set R (2) (2)(16)] which are linked into chains extending along a. Further C—H⋯O hydrogen bonding extends the structure along b through cyclic R (2) (2)(10) motifs. Although no π–π aromatic ring interactions are present in the structure, C—H⋯π ring interactions across c generate an overall three-dimensional supramolecular structure. International Union of Crystallography 2016-01-27 /pmc/articles/PMC4770977/ /pubmed/26958401 http://dx.doi.org/10.1107/S2056989016001432 Text en © May et al. 2016 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 | Research Communications May, Nóra Veronika Gál, Gyula Tamás Rapi, Zsolt Bakó, Péter Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate |
title | Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate |
title_full | Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate |
title_fullStr | Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate |
title_full_unstemmed | Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate |
title_short | Crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate |
title_sort | crystal structure of diethyl 2-acetoxy-2-[3-(4-nitrophenyl)-3-oxo-1-phenylpropyl]malonate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770977/ https://www.ncbi.nlm.nih.gov/pubmed/26958401 http://dx.doi.org/10.1107/S2056989016001432 |
work_keys_str_mv | AT maynoraveronika crystalstructureofdiethyl2acetoxy234nitrophenyl3oxo1phenylpropylmalonate AT galgyulatamas crystalstructureofdiethyl2acetoxy234nitrophenyl3oxo1phenylpropylmalonate AT rapizsolt crystalstructureofdiethyl2acetoxy234nitrophenyl3oxo1phenylpropylmalonate AT bakopeter crystalstructureofdiethyl2acetoxy234nitrophenyl3oxo1phenylpropylmalonate |