Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data
The crystal structure of the title salt, C20H44N44+·4Cl−·4H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018-08-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989018009337 |
| _version_ | 1819107250249138176 |
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| author | Dohyun Moon Jong-Ha Choi |
| author_facet | Dohyun Moon Jong-Ha Choi |
| author_sort | Dohyun Moon |
| collection | DOAJ |
| description | The crystal structure of the title salt, C20H44N44+·4Cl−·4H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. There are two molecules in the unit cell. The Cl− anions and hydrate molecules are involved in hydrogen bonding. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors and the O atoms of the water molecules and the Cl− anions as acceptors, giving rise to a three-dimensional network. |
| first_indexed | 2024-12-22T02:51:03Z |
| format | Article |
| id | doaj.art-6c33b6afcf384549ab35260c3b8bf2da |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-22T02:51:03Z |
| publishDate | 2018-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-6c33b6afcf384549ab35260c3b8bf2da2022-12-21T18:41:23ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902018-08-017481039104110.1107/S2056989018009337sj5559Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray dataDohyun Moon0Jong-Ha Choi1Pohang Accelerator Laboratory, POSTECH, Pohang 37673, Republic of KoreaDepartment of Chemistry, Andong National University, Andong 36729, Republic of KoreaThe crystal structure of the title salt, C20H44N44+·4Cl−·4H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. There are two molecules in the unit cell. The Cl− anions and hydrate molecules are involved in hydrogen bonding. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors and the O atoms of the water molecules and the Cl− anions as acceptors, giving rise to a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S2056989018009337crystal structureprotonated macrocycletetrachloridetetrahydratehydrogen bondingsynchrotron radiation |
| spellingShingle | Dohyun Moon Jong-Ha Choi Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data Acta Crystallographica Section E: Crystallographic Communications crystal structure protonated macrocycle tetrachloride tetrahydrate hydrogen bonding synchrotron radiation |
| title | Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data |
| title_full | Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data |
| title_fullStr | Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data |
| title_full_unstemmed | Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data |
| title_short | Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data |
| title_sort | crystal structure of 3 14 dimethyl 2 6 13 17 tetraazoniatricyclo 16 4 0 07 12 docosane tetrachloride tetrahydrate from synchrotron x ray data |
| topic | crystal structure protonated macrocycle tetrachloride tetrahydrate hydrogen bonding synchrotron radiation |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989018009337 |
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