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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Published:2021-10-08
Issue:11
Volume:77
Page:1072-1077
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ISSN:2056-9890
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Container-title:Acta Crystallographica Section E Crystallographic Communications
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language:
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Short-container-title:Acta Cryst E
Author:
Atioğlu Zeliha,
Akkurt MehmetORCID,
Mammadova Gunay Z.,
Mlowe SixberthORCID
Abstract
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 R
2
2(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.
Publisher
International Union of Crystallography (IUCr)
Subject
Condensed Matter Physics,General Materials Science,General Chemistry