Cargando…
Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent]
In the title compound, C(19)H(15)Cl(6)NO(4) [+solvent], the six-membered ring of the norbornene moiety adopts a boat conformation and the two five-membered rings have envelope conformations. The pyrrolidine ring makes a dihedral angle of 14.83 (12)° with the 3,4-dimethoxyphenyl ring, which are at...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505607/ https://www.ncbi.nlm.nih.gov/pubmed/31110786 http://dx.doi.org/10.1107/S2056989019004109 |
_version_ | 1783416789823127552 |
---|---|
author | Manohar, R. Harikrishna, M. Etti, S. Harikrishna Ramanathan, C. Gunasekaran, K. |
author_facet | Manohar, R. Harikrishna, M. Etti, S. Harikrishna Ramanathan, C. Gunasekaran, K. |
author_sort | Manohar, R. |
collection | PubMed |
description | In the title compound, C(19)H(15)Cl(6)NO(4) [+solvent], the six-membered ring of the norbornene moiety adopts a boat conformation and the two five-membered rings have envelope conformations. The pyrrolidine ring makes a dihedral angle of 14.83 (12)° with the 3,4-dimethoxyphenyl ring, which are attached to each other by an extended N—CH(2)—CH(2)—C(ar) bridge. In the crystal, the structure features C—H⋯O intermolecular hydrogen bonds, an offset π–π interaction [intercentroid distance = 3.564 (1) Å] and a C—Cl⋯π interaction. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] of PLATON. The solvent contribution was not included in the reported molecular weight and density. |
format | Online Article Text |
id | pubmed-6505607 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-65056072019-05-20 Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent] Manohar, R. Harikrishna, M. Etti, S. Harikrishna Ramanathan, C. Gunasekaran, K. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(19)H(15)Cl(6)NO(4) [+solvent], the six-membered ring of the norbornene moiety adopts a boat conformation and the two five-membered rings have envelope conformations. The pyrrolidine ring makes a dihedral angle of 14.83 (12)° with the 3,4-dimethoxyphenyl ring, which are attached to each other by an extended N—CH(2)—CH(2)—C(ar) bridge. In the crystal, the structure features C—H⋯O intermolecular hydrogen bonds, an offset π–π interaction [intercentroid distance = 3.564 (1) Å] and a C—Cl⋯π interaction. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] of PLATON. The solvent contribution was not included in the reported molecular weight and density. International Union of Crystallography 2019-04-02 /pmc/articles/PMC6505607/ /pubmed/31110786 http://dx.doi.org/10.1107/S2056989019004109 Text en © Manohar et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Manohar, R. Harikrishna, M. Etti, S. Harikrishna Ramanathan, C. Gunasekaran, K. Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent] |
title | Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent] |
title_full | Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent] |
title_fullStr | Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent] |
title_full_unstemmed | Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent] |
title_short | Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent] |
title_sort | crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione [+solvent] |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505607/ https://www.ncbi.nlm.nih.gov/pubmed/31110786 http://dx.doi.org/10.1107/S2056989019004109 |
work_keys_str_mv | AT manoharr crystalstructureof456788hexachloro234dimethoxyphenethyl3a477atetrahydro1h47methanoisoindole132hdionesolvent AT harikrishnam crystalstructureof456788hexachloro234dimethoxyphenethyl3a477atetrahydro1h47methanoisoindole132hdionesolvent AT ettisharikrishna crystalstructureof456788hexachloro234dimethoxyphenethyl3a477atetrahydro1h47methanoisoindole132hdionesolvent AT ramanathanc crystalstructureof456788hexachloro234dimethoxyphenethyl3a477atetrahydro1h47methanoisoindole132hdionesolvent AT gunasekarank crystalstructureof456788hexachloro234dimethoxyphenethyl3a477atetrahydro1h47methanoisoindole132hdionesolvent |