Cargando…

Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexa­chloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexa­chloro-1,3-dioxo-1,3,3a,4,7,7a-hexa­hydro-2H-4,7-methano­isoindol-2-yl]hex­yl}-3a,4,7,7a-tetra­hydro-1H-4,7-methano­iso­indole-1,3(2H)-dione

The mol­ecule of the title compound, C(24)H(16)Cl(12)N(2)O(4), is generated by a crystallographic inversion centre at the midpoint of the central C—C bond. A kink in the mol­ecule is defined by a torsion angle of −169.86 (15)° about this central bond of the alkyl bridge. The pyrrolidine ring is esse...

Descripción completa

Detalles Bibliográficos
Autores principales: Alikhanova, Aygun I., Atioğlu, Zeliha, Akkurt, Mehmet, Mlowe, Sixberth
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340976/
https://www.ncbi.nlm.nih.gov/pubmed/34422299
http://dx.doi.org/10.1107/S2056989021006952
_version_ 1783733857051213824
author Alikhanova, Aygun I.
Atioğlu, Zeliha
Akkurt, Mehmet
Mlowe, Sixberth
author_facet Alikhanova, Aygun I.
Atioğlu, Zeliha
Akkurt, Mehmet
Mlowe, Sixberth
author_sort Alikhanova, Aygun I.
collection PubMed
description The mol­ecule of the title compound, C(24)H(16)Cl(12)N(2)O(4), is generated by a crystallographic inversion centre at the midpoint of the central C—C bond. A kink in the mol­ecule is defined by a torsion angle of −169.86 (15)° about this central bond of the alkyl bridge. The pyrrolidine ring is essentially planar [max. deviation = 0.014 (1) Å]. The cyclo­hexane ring has a boat conformation, while both cyclo­pentane rings adopt an envelope conformation. In the crystal structure, mol­ecules are linked by inter­molecular C—H⋯O, C—H⋯Cl and C—Cl⋯π inter­actions, and short inter­molecular Cl⋯O and Cl⋯Cl contacts, forming a three-dimensional network.
format Online
Article
Text
id pubmed-8340976
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-83409762021-08-19 Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexa­chloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexa­chloro-1,3-dioxo-1,3,3a,4,7,7a-hexa­hydro-2H-4,7-methano­isoindol-2-yl]hex­yl}-3a,4,7,7a-tetra­hydro-1H-4,7-methano­iso­indole-1,3(2H)-dione Alikhanova, Aygun I. Atioğlu, Zeliha Akkurt, Mehmet Mlowe, Sixberth Acta Crystallogr E Crystallogr Commun Research Communications The mol­ecule of the title compound, C(24)H(16)Cl(12)N(2)O(4), is generated by a crystallographic inversion centre at the midpoint of the central C—C bond. A kink in the mol­ecule is defined by a torsion angle of −169.86 (15)° about this central bond of the alkyl bridge. The pyrrolidine ring is essentially planar [max. deviation = 0.014 (1) Å]. The cyclo­hexane ring has a boat conformation, while both cyclo­pentane rings adopt an envelope conformation. In the crystal structure, mol­ecules are linked by inter­molecular C—H⋯O, C—H⋯Cl and C—Cl⋯π inter­actions, and short inter­molecular Cl⋯O and Cl⋯Cl contacts, forming a three-dimensional network. International Union of Crystallography 2021-07-09 /pmc/articles/PMC8340976/ /pubmed/34422299 http://dx.doi.org/10.1107/S2056989021006952 Text en © Alikhanova et al. 2021 https://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.
spellingShingle Research Communications
Alikhanova, Aygun I.
Atioğlu, Zeliha
Akkurt, Mehmet
Mlowe, Sixberth
Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexa­chloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexa­chloro-1,3-dioxo-1,3,3a,4,7,7a-hexa­hydro-2H-4,7-methano­isoindol-2-yl]hex­yl}-3a,4,7,7a-tetra­hydro-1H-4,7-methano­iso­indole-1,3(2H)-dione
title Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexa­chloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexa­chloro-1,3-dioxo-1,3,3a,4,7,7a-hexa­hydro-2H-4,7-methano­isoindol-2-yl]hex­yl}-3a,4,7,7a-tetra­hydro-1H-4,7-methano­iso­indole-1,3(2H)-dione
title_full Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexa­chloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexa­chloro-1,3-dioxo-1,3,3a,4,7,7a-hexa­hydro-2H-4,7-methano­isoindol-2-yl]hex­yl}-3a,4,7,7a-tetra­hydro-1H-4,7-methano­iso­indole-1,3(2H)-dione
title_fullStr Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexa­chloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexa­chloro-1,3-dioxo-1,3,3a,4,7,7a-hexa­hydro-2H-4,7-methano­isoindol-2-yl]hex­yl}-3a,4,7,7a-tetra­hydro-1H-4,7-methano­iso­indole-1,3(2H)-dione
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexa­chloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexa­chloro-1,3-dioxo-1,3,3a,4,7,7a-hexa­hydro-2H-4,7-methano­isoindol-2-yl]hex­yl}-3a,4,7,7a-tetra­hydro-1H-4,7-methano­iso­indole-1,3(2H)-dione
title_short Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexa­chloro-2-{6-[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexa­chloro-1,3-dioxo-1,3,3a,4,7,7a-hexa­hydro-2H-4,7-methano­isoindol-2-yl]hex­yl}-3a,4,7,7a-tetra­hydro-1H-4,7-methano­iso­indole-1,3(2H)-dione
title_sort crystal structure and hirshfeld surface analysis of (3ar,4s,7s,7as)-4,5,6,7,8,8-hexa­chloro-2-{6-[(3ar,4r,7r,7as)-4,5,6,7,8,8-hexa­chloro-1,3-dioxo-1,3,3a,4,7,7a-hexa­hydro-2h-4,7-methano­isoindol-2-yl]hex­yl}-3a,4,7,7a-tetra­hydro-1h-4,7-methano­iso­indole-1,3(2h)-dione
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340976/
https://www.ncbi.nlm.nih.gov/pubmed/34422299
http://dx.doi.org/10.1107/S2056989021006952
work_keys_str_mv AT alikhanovaayguni crystalstructureandhirshfeldsurfaceanalysisof3ar4s7s7as456788hexachloro263ar4r7r7as456788hexachloro13dioxo133a477ahexahydro2h47methanoisoindol2ylhexyl3a477atetrahydro1h47methanoisoindole132hdione
AT atiogluzeliha crystalstructureandhirshfeldsurfaceanalysisof3ar4s7s7as456788hexachloro263ar4r7r7as456788hexachloro13dioxo133a477ahexahydro2h47methanoisoindol2ylhexyl3a477atetrahydro1h47methanoisoindole132hdione
AT akkurtmehmet crystalstructureandhirshfeldsurfaceanalysisof3ar4s7s7as456788hexachloro263ar4r7r7as456788hexachloro13dioxo133a477ahexahydro2h47methanoisoindol2ylhexyl3a477atetrahydro1h47methanoisoindole132hdione
AT mlowesixberth crystalstructureandhirshfeldsurfaceanalysisof3ar4s7s7as456788hexachloro263ar4r7r7as456788hexachloro13dioxo133a477ahexahydro2h47methanoisoindol2ylhexyl3a477atetrahydro1h47methanoisoindole132hdione