2,2′-(p-Phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) bis(3-nitrobenzoate)
In the title compound, C12H16N4+·2C7H4NO4−, the complete 2,2′-(p-phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) (bib) dication is generated by crystallographic inversion symmetry. The bib cations reside on crystallographic inversion centers, which coincide with...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810053341 |
| _version_ | 1818894316524797952 |
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| author | Xiu-Mei Song Jun-Jun Li Xin-Hua Liu Chun-Xia Ren Shao-Ming Shang |
| author_facet | Xiu-Mei Song Jun-Jun Li Xin-Hua Liu Chun-Xia Ren Shao-Ming Shang |
| author_sort | Xiu-Mei Song |
| collection | DOAJ |
| description | In the title compound, C12H16N4+·2C7H4NO4−, the complete 2,2′-(p-phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) (bib) dication is generated by crystallographic inversion symmetry. The bib cations reside on crystallographic inversion centers, which coincide with the centroids of the respective benzene rings. In the cation, the imidazole ring adopts an envelop conformation with the flap atom displaced by 0.082 (3) Å from the plane through the other ring atoms. In the crystal, the cations and anions are linked through intermolecular N—H...O hydrogen bonds, forming chains running along the a axis. C—H...O interactions also occur. Weak π–π contacts between the imidazole rings of bib and between the benzene rings of NB [centroid–centroid distances = 3.501 (1) and 3.281 (2) Å, respectively] may further stabilize the structure. |
| first_indexed | 2024-12-19T18:26:33Z |
| format | Article |
| id | doaj.art-7c9ad1847a8a4361bbba3fb9accd047b |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T18:26:33Z |
| publishDate | 2011-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-7c9ad1847a8a4361bbba3fb9accd047b2022-12-21T20:10:50ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-02-01672o263o26310.1107/S16005368100533412,2′-(p-Phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) bis(3-nitrobenzoate)Xiu-Mei SongJun-Jun LiXin-Hua LiuChun-Xia RenShao-Ming ShangIn the title compound, C12H16N4+·2C7H4NO4−, the complete 2,2′-(p-phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) (bib) dication is generated by crystallographic inversion symmetry. The bib cations reside on crystallographic inversion centers, which coincide with the centroids of the respective benzene rings. In the cation, the imidazole ring adopts an envelop conformation with the flap atom displaced by 0.082 (3) Å from the plane through the other ring atoms. In the crystal, the cations and anions are linked through intermolecular N—H...O hydrogen bonds, forming chains running along the a axis. C—H...O interactions also occur. Weak π–π contacts between the imidazole rings of bib and between the benzene rings of NB [centroid–centroid distances = 3.501 (1) and 3.281 (2) Å, respectively] may further stabilize the structure.http://scripts.iucr.org/cgi-bin/paper?S1600536810053341 |
| spellingShingle | Xiu-Mei Song Jun-Jun Li Xin-Hua Liu Chun-Xia Ren Shao-Ming Shang 2,2′-(p-Phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) bis(3-nitrobenzoate) Acta Crystallographica Section E |
| title | 2,2′-(p-Phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) bis(3-nitrobenzoate) |
| title_full | 2,2′-(p-Phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) bis(3-nitrobenzoate) |
| title_fullStr | 2,2′-(p-Phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) bis(3-nitrobenzoate) |
| title_full_unstemmed | 2,2′-(p-Phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) bis(3-nitrobenzoate) |
| title_short | 2,2′-(p-Phenylene)bis(4,5-dihydro-1H-imidazol-3-ium) bis(3-nitrobenzoate) |
| title_sort | 2 2 amp 8242 p phenylene bis 4 5 dihydro 1h imidazol 3 ium bis 3 nitrobenzoate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810053341 |
| work_keys_str_mv | AT xiumeisong 22amp8242pphenylenebis45dihydro1himidazol3iumbis3nitrobenzoate AT junjunli 22amp8242pphenylenebis45dihydro1himidazol3iumbis3nitrobenzoate AT xinhualiu 22amp8242pphenylenebis45dihydro1himidazol3iumbis3nitrobenzoate AT chunxiaren 22amp8242pphenylenebis45dihydro1himidazol3iumbis3nitrobenzoate AT shaomingshang 22amp8242pphenylenebis45dihydro1himidazol3iumbis3nitrobenzoate |