5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole)
The title molecule, C24H14N4O2, lies on an inversion centre and the asymmetric unit containg one half-molecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These molecules are π-...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2011-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811048513 |
| _version_ | 1818957911700799488 |
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| author | Haitao Wang Xiaoshi Jia Songnan Qu Binglian Bai Min Li |
| author_facet | Haitao Wang Xiaoshi Jia Songnan Qu Binglian Bai Min Li |
| author_sort | Haitao Wang |
| collection | DOAJ |
| description | The title molecule, C24H14N4O2, lies on an inversion centre and the asymmetric unit containg one half-molecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These molecules are π-stacked along the crystallographic a axis, with an interplanar distance of 3.337 (1) Å. Adjacent molecules are slipped from the `ideal' cofacial π-stack in both the long and short molecular axis (the long molecular axis is defined as the line through the naphthalene C atom in the 6-position and the molecular center, the short molecular axis is in the molecular plane perpendicular to it). The slip distance along the long molecular axis (S1) is 7.064 (1) Å, nearly a two-ring-length displacement. The side slip (S2, along the short molecular axis) is 1.159 (8) Å. |
| first_indexed | 2024-12-20T11:17:22Z |
| format | Article |
| id | doaj.art-d1ff45a050e74dda97d277153d66bb20 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T11:17:22Z |
| publishDate | 2011-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-d1ff45a050e74dda97d277153d66bb202022-12-21T19:42:35ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-12-016712o3360o336010.1107/S16005368110485135,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole)Haitao WangXiaoshi JiaSongnan QuBinglian BaiMin LiThe title molecule, C24H14N4O2, lies on an inversion centre and the asymmetric unit containg one half-molecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36 (6)°. These molecules are π-stacked along the crystallographic a axis, with an interplanar distance of 3.337 (1) Å. Adjacent molecules are slipped from the `ideal' cofacial π-stack in both the long and short molecular axis (the long molecular axis is defined as the line through the naphthalene C atom in the 6-position and the molecular center, the short molecular axis is in the molecular plane perpendicular to it). The slip distance along the long molecular axis (S1) is 7.064 (1) Å, nearly a two-ring-length displacement. The side slip (S2, along the short molecular axis) is 1.159 (8) Å.http://scripts.iucr.org/cgi-bin/paper?S1600536811048513 |
| spellingShingle | Haitao Wang Xiaoshi Jia Songnan Qu Binglian Bai Min Li 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) Acta Crystallographica Section E |
| title | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
| title_full | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
| title_fullStr | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
| title_full_unstemmed | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
| title_short | 5,5′-Bis(naphthalen-2-yl)-2,2′-bi(1,3,4-oxadiazole) |
| title_sort | 5 5 amp 8242 bis naphthalen 2 yl 2 2 amp 8242 bi 1 3 4 oxadiazole |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811048513 |
| work_keys_str_mv | AT haitaowang 55amp8242bisnaphthalen2yl22amp8242bi134oxadiazole AT xiaoshijia 55amp8242bisnaphthalen2yl22amp8242bi134oxadiazole AT songnanqu 55amp8242bisnaphthalen2yl22amp8242bi134oxadiazole AT binglianbai 55amp8242bisnaphthalen2yl22amp8242bi134oxadiazole AT minli 55amp8242bisnaphthalen2yl22amp8242bi134oxadiazole |