3-(1,2,2-Triiodoethenyl)benzoic acid
The title compound, C9H5I3O2, has a layered structure exhibiting O—H...O hydrogen bonds, as well as C—I...C and C—I...O halogen bonding. The C atoms of the ethenyl group are disordered over two sets of sites with refined occupancies of 0.545 (18) and 0.455 (18).
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2018-02-01
|
| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314618002584 |
| _version_ | 1811268623641083904 |
|---|---|
| author | Patrick M.J. Szell Bulat Gabidullin David L. Bryce |
| author_facet | Patrick M.J. Szell Bulat Gabidullin David L. Bryce |
| author_sort | Patrick M.J. Szell |
| collection | DOAJ |
| description | The title compound, C9H5I3O2, has a layered structure exhibiting O—H...O hydrogen bonds, as well as C—I...C and C—I...O halogen bonding. The C atoms of the ethenyl group are disordered over two sets of sites with refined occupancies of 0.545 (18) and 0.455 (18). |
| first_indexed | 2024-04-12T21:26:17Z |
| format | Article |
| id | doaj.art-d9dd80ba28274b498a0b5ecda5ef0482 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-12T21:26:17Z |
| publishDate | 2018-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-d9dd80ba28274b498a0b5ecda5ef04822022-12-22T03:16:10ZengInternational Union of CrystallographyIUCrData2414-31462018-02-0132x18025810.1107/S2414314618002584lh40313-(1,2,2-Triiodoethenyl)benzoic acidPatrick M.J. Szell0Bulat Gabidullin1David L. Bryce2Department of Chemistry and Biomolecular Sciences & CCRI, University of Ottawa, 10 Marie Curie Private, Ottawa, Ontario K1N 6N5, CanadaDepartment of Chemistry and Biomolecular Sciences & CCRI, University of Ottawa, 10 Marie Curie Private, Ottawa, Ontario K1N 6N5, CanadaDepartment of Chemistry and Biomolecular Sciences & CCRI, University of Ottawa, 10 Marie Curie Private, Ottawa, Ontario K1N 6N5, CanadaThe title compound, C9H5I3O2, has a layered structure exhibiting O—H...O hydrogen bonds, as well as C—I...C and C—I...O halogen bonding. The C atoms of the ethenyl group are disordered over two sets of sites with refined occupancies of 0.545 (18) and 0.455 (18).http://scripts.iucr.org/cgi-bin/paper?S2414314618002584crystal structurehalogen bondinghydrogen bonding |
| spellingShingle | Patrick M.J. Szell Bulat Gabidullin David L. Bryce 3-(1,2,2-Triiodoethenyl)benzoic acid IUCrData crystal structure halogen bonding hydrogen bonding |
| title | 3-(1,2,2-Triiodoethenyl)benzoic acid |
| title_full | 3-(1,2,2-Triiodoethenyl)benzoic acid |
| title_fullStr | 3-(1,2,2-Triiodoethenyl)benzoic acid |
| title_full_unstemmed | 3-(1,2,2-Triiodoethenyl)benzoic acid |
| title_short | 3-(1,2,2-Triiodoethenyl)benzoic acid |
| title_sort | 3 1 2 2 triiodoethenyl benzoic acid |
| topic | crystal structure halogen bonding hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314618002584 |
| work_keys_str_mv | AT patrickmjszell 3122triiodoethenylbenzoicacid AT bulatgabidullin 3122triiodoethenylbenzoicacid AT davidlbryce 3122triiodoethenylbenzoicacid |