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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...

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Autores principales: Manohar, R., Harikrishna, M., Etti, S. Harikrishna, Ramanathan, C., Gunasekaran, K.
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
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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.
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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
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