Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane dinitrate dihydrate from synchrotron X-ray data
The crystal structure of title salt, C22H46N42+·2NO3−·2H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit contains half a centrosymmetric dication, one nitrate anio...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2019-06-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989019007655 |
| _version_ | 1798026901305950208 |
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| author | Dohyun Moon Sunghwan Jeon Keon Sang Ryoo Jong-Ha Choi |
| author_facet | Dohyun Moon Sunghwan Jeon Keon Sang Ryoo Jong-Ha Choi |
| author_sort | Dohyun Moon |
| collection | DOAJ |
| description | The crystal structure of title salt, C22H46N42+·2NO3−·2H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit contains half a centrosymmetric dication, one nitrate anion and one water molecule. The molecular dication, C22H46N42+, together with the nitrate anion and hydrate water molecule are involved in an extensive range of hydrogen bonds. The molecule is stabilized, as is the conformation of the dication, by forming intermolecular N—H...O, O—H...O, together with intramolecular N—H...N hydrogen bonds. |
| first_indexed | 2024-04-11T18:42:41Z |
| format | Article |
| id | doaj.art-22ebe4297e734d61823af2afc2280778 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T18:42:41Z |
| publishDate | 2019-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-22ebe4297e734d61823af2afc22807782022-12-22T04:08:56ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902019-06-0175692192410.1107/S2056989019007655sj5572Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane dinitrate dihydrate from synchrotron X-ray dataDohyun Moon0Sunghwan Jeon1Keon Sang Ryoo2Jong-Ha Choi3Beamline Department, Pohang Accelerator Laboratory, Pohang 37673, Republic of KoreaDepartment of Chemistry, Andong National University, Andong 36729, Republic of KoreaDepartment of Chemistry, Andong National University, Andong 36729, Republic of KoreaDepartment of Chemistry, Andong National University, Andong 36729, Republic of KoreaThe crystal structure of title salt, C22H46N42+·2NO3−·2H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit contains half a centrosymmetric dication, one nitrate anion and one water molecule. The molecular dication, C22H46N42+, together with the nitrate anion and hydrate water molecule are involved in an extensive range of hydrogen bonds. The molecule is stabilized, as is the conformation of the dication, by forming intermolecular N—H...O, O—H...O, together with intramolecular N—H...N hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S2056989019007655crystal structureprotonated macrocyclenitratehydratehydrogen bondssynchrotron radiation |
| spellingShingle | Dohyun Moon Sunghwan Jeon Keon Sang Ryoo Jong-Ha Choi Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane dinitrate dihydrate from synchrotron X-ray data Acta Crystallographica Section E: Crystallographic Communications crystal structure protonated macrocycle nitrate hydrate hydrogen bonds synchrotron radiation |
| title | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane dinitrate dihydrate from synchrotron X-ray data |
| title_full | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane dinitrate dihydrate from synchrotron X-ray data |
| title_fullStr | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane dinitrate dihydrate from synchrotron X-ray data |
| title_full_unstemmed | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane dinitrate dihydrate from synchrotron X-ray data |
| title_short | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane dinitrate dihydrate from synchrotron X-ray data |
| title_sort | crystal structure of 3 14 diethyl 2 13 diaza 6 17 diazoniatricyclo 16 4 0 07 12 docosane dinitrate dihydrate from synchrotron x ray data |
| topic | crystal structure protonated macrocycle nitrate hydrate hydrogen bonds synchrotron radiation |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989019007655 |
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