Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate

In the cation of the title salt, C30H28NO2+·CF3O3S−, the four tetrahydrofuran rings adopt envelope conformations. In the crystal, pairs of cations are linked by dimeric C—H...O hydrogen bonds, forming two R22(6) ring motifs parallel to the (001) plane. The cations and anions are connected by further...

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Autores principales:	Zeliha Atioğlu, Mehmet Akkurt, Gunay Z. Mammadova, Sixberth Mlowe
Formato:	article
Lenguaje:	EN
Publicado:	International Union of Crystallography 2021
Materias:	crystal structure tetrahydrofuran ring piperidine ring c—h...o hydrogen bonds hirshfeld surface analysis imdaf reaction diels–alder reaction Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/5de214bfa7eb4e44a3f5a4de7c264993
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spelling	oai:doaj.org-article:5de214bfa7eb4e44a3f5a4de7c2649932021-11-12T11:16:09ZCrystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate2056-989010.1107/S2056989021010173https://doaj.org/article/5de214bfa7eb4e44a3f5a4de7c2649932021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021010173https://doaj.org/toc/2056-9890In the cation of the title salt, C30H28NO2+·CF3O3S−, the four tetrahydrofuran rings adopt envelope conformations. In the crystal, pairs of cations are linked by dimeric C—H...O hydrogen bonds, forming two R22(6) ring motifs parallel to the (001) plane. The cations and anions are connected by further C—H...O hydrogen bonds, forming a three-dimensional network structure. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (47.6%), C...H/H...C (20.6%), O...H/H...O (18.0%) and F...H/H...F (9.9%) interactions.Zeliha AtioğluMehmet AkkurtGunay Z. MammadovaSixberth MloweInternational Union of Crystallographyarticlecrystal structuretetrahydrofuran ringpiperidine ringc—h...o hydrogen bondshirshfeld surface analysisimdaf reactiondiels–alder reactionChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1072-1077 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	crystal structure tetrahydrofuran ring piperidine ring c—h...o hydrogen bonds hirshfeld surface analysis imdaf reaction diels–alder reaction Chemistry QD1-999
spellingShingle	crystal structure tetrahydrofuran ring piperidine ring c—h...o hydrogen bonds hirshfeld surface analysis imdaf reaction diels–alder reaction Chemistry QD1-999 Zeliha Atioğlu Mehmet Akkurt Gunay Z. Mammadova Sixberth Mlowe Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate
description	In the cation of the title salt, C30H28NO2+·CF3O3S−, the four tetrahydrofuran rings adopt envelope conformations. In the crystal, pairs of cations are linked by dimeric C—H...O hydrogen bonds, forming two R22(6) ring motifs parallel to the (001) plane. The cations and anions are connected by further C—H...O hydrogen bonds, forming a three-dimensional network structure. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (47.6%), C...H/H...C (20.6%), O...H/H...O (18.0%) and F...H/H...F (9.9%) interactions.
format	article
author	Zeliha Atioğlu Mehmet Akkurt Gunay Z. Mammadova Sixberth Mlowe
author_facet	Zeliha Atioğlu Mehmet Akkurt Gunay Z. Mammadova Sixberth Mlowe
author_sort	Zeliha Atioğlu
title	Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate
title_short	Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate
title_full	Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate
title_fullStr	Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate
title_full_unstemmed	Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate
title_sort	crystal structure and hirshfeld surface analysis of (3asr,6rs,6asr,7rs,11bsr,11crs)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1h,6h,7h-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate
publisher	International Union of Crystallography
publishDate	2021
url	https://doaj.org/article/5de214bfa7eb4e44a3f5a4de7c264993
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Crystal structure and Hirshfeld surface analysis of (3aSR,6RS,6aSR,7RS,11bSR,11cRS)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1H,6H,7H-3a,6:7,11b-diepoxydibenzo[de,h]isoquinolin-2-ium trifluoromethanesulfonate

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