1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrate
In the crystal structure of the title compound, C8H14N3+·Br−·2H2O, intermolecular O—H...O and O—H...Br hydrogen bonding occurs. The water molecules are connected into chains extending in the a-axis direction. The bromide anions are...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2010-07-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810019926 |
| _version_ | 1819280150968139776 |
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| author | Ying Cai |
| author_facet | Ying Cai |
| author_sort | Ying Cai |
| collection | DOAJ |
| description | In the crystal structure of the title compound, C8H14N3+·Br−·2H2O, intermolecular O—H...O and O—H...Br hydrogen bonding occurs. The water molecules are connected into chains extending in the a-axis direction. The bromide anions are connected to the water molecules, forming 10-membered rings. The cations are connected to the anions via weak C—H...Br interactions. Two carbon atoms of the cation are disordered and were refined using a split model (occupancy ratio 0.70:0.3). |
| first_indexed | 2024-12-24T00:39:14Z |
| format | Article |
| id | doaj.art-3015ef56abdc473aa94c4212acd86c81 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T00:39:14Z |
| publishDate | 2010-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-3015ef56abdc473aa94c4212acd86c812022-12-21T17:24:00ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-07-01667o1527o152710.1107/S16005368100199261-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrateYing CaiIn the crystal structure of the title compound, C8H14N3+·Br−·2H2O, intermolecular O—H...O and O—H...Br hydrogen bonding occurs. The water molecules are connected into chains extending in the a-axis direction. The bromide anions are connected to the water molecules, forming 10-membered rings. The cations are connected to the anions via weak C—H...Br interactions. Two carbon atoms of the cation are disordered and were refined using a split model (occupancy ratio 0.70:0.3).http://scripts.iucr.org/cgi-bin/paper?S1600536810019926 |
| spellingShingle | Ying Cai 1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrate Acta Crystallographica Section E |
| title | 1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrate |
| title_full | 1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrate |
| title_fullStr | 1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrate |
| title_full_unstemmed | 1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrate |
| title_short | 1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrate |
| title_sort | 1 cyanomethyl 4 aza 1 azoniabicyclo 2 2 2 octane bromide dihydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810019926 |
| work_keys_str_mv | AT yingcai 1cyanomethyl4aza1azoniabicyclo222octanebromidedihydrate |