2,2′-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine]
The title compound, C32H18F4N4S2, is a disulfide symmetrically substituted with two diaza-meta-terphenyl groups. In the crystal, the molecule adopts a twisted conformation with a C—S—S—C torsion angle of −91.82 (7)°....
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812001912 |
| _version_ | 1819002373389942784 |
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| author | Richard Betz Thomas Gerber Eric Hosten Serenthimata Samshuddin Badiadka Narayana Balladka K. Sarojini |
| author_facet | Richard Betz Thomas Gerber Eric Hosten Serenthimata Samshuddin Badiadka Narayana Balladka K. Sarojini |
| author_sort | Richard Betz |
| collection | DOAJ |
| description | The title compound, C32H18F4N4S2, is a disulfide symmetrically substituted with two diaza-meta-terphenyl groups. In the crystal, the molecule adopts a twisted conformation with a C—S—S—C torsion angle of −91.82 (7)°. One of the 4,6-(4-fluorophenyl)pyrimidine groups is virtually planar, with dihedral angles between the pyrimidine and benzene groups of 4.00 (8) and 5.44 (8)°, wheares the other is non-planar with analogues dihedral angles of 18.69 (8) and 26.60 (8)°. The planar 4,6-(4-fluorophenyl)pyrimidine groups are involved in π–π stacking interactions via their 4-fluorophenyl groups [centroid–centroid distances of 3.8556 (11) and 3.9284 (11) Å] that assemble the molecules into columns extended along the a axis. In addition, the structure is stabilized by C—F...π [F...centroid = 3.4017 (16) Å], C—H...F and C—H...π interactions. |
| first_indexed | 2024-12-20T23:04:04Z |
| format | Article |
| id | doaj.art-06a270d9fdba4d3dae75d4b8f6591323 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T23:04:04Z |
| publishDate | 2012-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-06a270d9fdba4d3dae75d4b8f65913232022-12-21T19:23:55ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-02-01682o476o47710.1107/S16005368120019122,2′-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine]Richard BetzThomas GerberEric HostenSerenthimata SamshuddinBadiadka NarayanaBalladka K. SarojiniThe title compound, C32H18F4N4S2, is a disulfide symmetrically substituted with two diaza-meta-terphenyl groups. In the crystal, the molecule adopts a twisted conformation with a C—S—S—C torsion angle of −91.82 (7)°. One of the 4,6-(4-fluorophenyl)pyrimidine groups is virtually planar, with dihedral angles between the pyrimidine and benzene groups of 4.00 (8) and 5.44 (8)°, wheares the other is non-planar with analogues dihedral angles of 18.69 (8) and 26.60 (8)°. The planar 4,6-(4-fluorophenyl)pyrimidine groups are involved in π–π stacking interactions via their 4-fluorophenyl groups [centroid–centroid distances of 3.8556 (11) and 3.9284 (11) Å] that assemble the molecules into columns extended along the a axis. In addition, the structure is stabilized by C—F...π [F...centroid = 3.4017 (16) Å], C—H...F and C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536812001912 |
| spellingShingle | Richard Betz Thomas Gerber Eric Hosten Serenthimata Samshuddin Badiadka Narayana Balladka K. Sarojini 2,2′-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine] Acta Crystallographica Section E |
| title | 2,2′-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine] |
| title_full | 2,2′-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine] |
| title_fullStr | 2,2′-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine] |
| title_full_unstemmed | 2,2′-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine] |
| title_short | 2,2′-(Disulfanediyl)bis[4,6-(4-fluorophenyl)pyrimidine] |
| title_sort | 2 2 amp 8242 disulfanediyl bis 4 6 4 fluorophenyl pyrimidine |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812001912 |
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