Cargando…
Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate
In the racemic title compound, C(17)H(15)ClN(2)O(4), which has been synthesized and the crystal structure of the solvent-free molecule determined, the angle between the planes of the benzene and cyclopropane rings is 54.29 (10)°. The molecular conformation is stabilized by two weak intramolecula...
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/PMC4770972/ https://www.ncbi.nlm.nih.gov/pubmed/26958400 http://dx.doi.org/10.1107/S2056989016001444 |
_version_ | 1782418350301773824 |
---|---|
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(17)H(15)ClN(2)O(4), which has been synthesized and the crystal structure of the solvent-free molecule determined, the angle between the planes of the benzene and cyclopropane rings is 54.29 (10)°. The molecular conformation is stabilized by two weak intramolecular C—H⋯O(carboxyl) interactions. In the crystal, C—H⋯O hydrogen bonds form centrosymmetric cyclic R (2) (2)(10) dimers which are linked into chain substructures extending along c. Further C—H⋯N(nitrile) hydrogen bonding, including a centrosymmetric cyclic R (2) (2)(14) association, link the chain substructures, forming a two-dimensional layered structure extending across the approximate ab plane. No significant π–π or halogen–halogen intermolecular interactions are present in the crystal. |
format | Online Article Text |
id | pubmed-4770972 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47709722016-03-08 Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate May, Nóra Veronika Gál, Gyula Tamás Rapi, Zsolt Bakó, Péter Acta Crystallogr E Crystallogr Commun Research Communications In the racemic title compound, C(17)H(15)ClN(2)O(4), which has been synthesized and the crystal structure of the solvent-free molecule determined, the angle between the planes of the benzene and cyclopropane rings is 54.29 (10)°. The molecular conformation is stabilized by two weak intramolecular C—H⋯O(carboxyl) interactions. In the crystal, C—H⋯O hydrogen bonds form centrosymmetric cyclic R (2) (2)(10) dimers which are linked into chain substructures extending along c. Further C—H⋯N(nitrile) hydrogen bonding, including a centrosymmetric cyclic R (2) (2)(14) association, link the chain substructures, forming a two-dimensional layered structure extending across the approximate ab plane. No significant π–π or halogen–halogen intermolecular interactions are present in the crystal. International Union of Crystallography 2016-01-27 /pmc/articles/PMC4770972/ /pubmed/26958400 http://dx.doi.org/10.1107/S2056989016001444 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 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate |
title | Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate |
title_full | Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate |
title_fullStr | Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate |
title_full_unstemmed | Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate |
title_short | Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate |
title_sort | crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770972/ https://www.ncbi.nlm.nih.gov/pubmed/26958400 http://dx.doi.org/10.1107/S2056989016001444 |
work_keys_str_mv | AT maynoraveronika crystalstructureofdiethyl33chlorophenyl22dicyanocyclopropane11dicarboxylate AT galgyulatamas crystalstructureofdiethyl33chlorophenyl22dicyanocyclopropane11dicarboxylate AT rapizsolt crystalstructureofdiethyl33chlorophenyl22dicyanocyclopropane11dicarboxylate AT bakopeter crystalstructureofdiethyl33chlorophenyl22dicyanocyclopropane11dicarboxylate |