6-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
The title molecule, C19H19FN4S, displays Cs molecular symmetry, in which the crystallographic mirror plane bisects the adamantan-1-yl unit while the 3-fluorophenyl triazole ring is located on the mirror plane. The F atom of the 3-fluorophenyl ring is positionally disordered [occupancy ratio 0.9:0.1]...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2010-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810046428 |
| _version_ | 1818489358515175424 |
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| author | Helen Stoeckli-Evans Tashfeen Akhtar Shahid Hameed Mahmood-ul-Hassan Khan |
| author_facet | Helen Stoeckli-Evans Tashfeen Akhtar Shahid Hameed Mahmood-ul-Hassan Khan |
| author_sort | Helen Stoeckli-Evans |
| collection | DOAJ |
| description | The title molecule, C19H19FN4S, displays Cs molecular symmetry, in which the crystallographic mirror plane bisects the adamantan-1-yl unit while the 3-fluorophenyl triazole ring is located on the mirror plane. The F atom of the 3-fluorophenyl ring is positionally disordered [occupancy ratio 0.9:0.1]. In the crystal, π–π interactions between the triazole and phenyl rings occur [centroid–centroid distance = 3.5849 (7) Å] and weak C—H...F interactions form a ribbon propagating in [010]. |
| first_indexed | 2024-12-10T17:02:49Z |
| format | Article |
| id | doaj.art-c3bb21b1f9b34c84a3e739457161989f |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-10T17:02:49Z |
| publishDate | 2010-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-c3bb21b1f9b34c84a3e739457161989f2022-12-22T01:40:32ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-12-016612o3215o321610.1107/S16005368100464286-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazoleHelen Stoeckli-EvansTashfeen AkhtarShahid HameedMahmood-ul-Hassan KhanThe title molecule, C19H19FN4S, displays Cs molecular symmetry, in which the crystallographic mirror plane bisects the adamantan-1-yl unit while the 3-fluorophenyl triazole ring is located on the mirror plane. The F atom of the 3-fluorophenyl ring is positionally disordered [occupancy ratio 0.9:0.1]. In the crystal, π–π interactions between the triazole and phenyl rings occur [centroid–centroid distance = 3.5849 (7) Å] and weak C—H...F interactions form a ribbon propagating in [010].http://scripts.iucr.org/cgi-bin/paper?S1600536810046428 |
| spellingShingle | Helen Stoeckli-Evans Tashfeen Akhtar Shahid Hameed Mahmood-ul-Hassan Khan 6-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole Acta Crystallographica Section E |
| title | 6-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_full | 6-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_fullStr | 6-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_full_unstemmed | 6-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_short | 6-(Adamantan-1-yl)-3-(3-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
| title_sort | 6 adamantan 1 yl 3 3 fluorophenyl 1 2 4 triazolo 3 4 b 1 3 4 thiadiazole |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810046428 |
| work_keys_str_mv | AT helenstoecklievans 6adamantan1yl33fluorophenyl124triazolo34b134thiadiazole AT tashfeenakhtar 6adamantan1yl33fluorophenyl124triazolo34b134thiadiazole AT shahidhameed 6adamantan1yl33fluorophenyl124triazolo34b134thiadiazole AT mahmoodulhassankhan 6adamantan1yl33fluorophenyl124triazolo34b134thiadiazole |