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Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data
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| Zeitschriftentitel: | Acta Crystallographica Section E Crystallographic Communications |
|---|---|
| Personen und Körperschaften: | , |
| In: | Acta Crystallographica Section E Crystallographic Communications, 77, 2021, 2, S. 213-216 |
| Format: | E-Article |
| Sprache: | Unbestimmt |
| veröffentlicht: |
International Union of Crystallography (IUCr)
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| Schlagwörter: |
| author_facet |
Moon, Dohyun Choi, Jong-Ha Moon, Dohyun Choi, Jong-Ha |
|---|---|
| author |
Moon, Dohyun Choi, Jong-Ha |
| spellingShingle |
Moon, Dohyun Choi, Jong-Ha Acta Crystallographica Section E Crystallographic Communications Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data Condensed Matter Physics General Materials Science General Chemistry |
| author_sort |
moon, dohyun |
| spelling |
Moon, Dohyun Choi, Jong-Ha 2056-9890 International Union of Crystallography (IUCr) Condensed Matter Physics General Materials Science General Chemistry http://dx.doi.org/10.1107/s2056989021001006 <jats:p>The crystal structure of the hydrated title salt, C<jats:sub>22</jats:sub>H<jats:sub>48</jats:sub>N<jats:sub>4</jats:sub> <jats:sup>4+</jats:sup>·4Cl<jats:sup>−</jats:sup>·4H<jats:sub>2</jats:sub>O (C<jats:sub>22</jats:sub>H<jats:sub>48</jats:sub>N<jats:sub>4</jats:sub> = H<jats:sub>4</jats:sub> <jats:italic>L</jats:italic> = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0<jats:sup>7,12</jats:sup>]docosane), 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 comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-<jats:italic>D</jats:italic> conformation. 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 chloride anions as acceptors, giving rise to a three-dimensional network.</jats:p> Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0<sup>7,12</sup>]docosane tetrachloride tetrahydrate from synchrotron X-ray data Acta Crystallographica Section E Crystallographic Communications |
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10.1107/s2056989021001006 |
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Online Free |
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Physik |
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International Union of Crystallography (IUCr), 2021 |
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International Union of Crystallography (IUCr), 2021 |
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2056-9890 |
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2056-9890 |
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2021 |
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International Union of Crystallography (IUCr) |
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ai |
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Acta Crystallographica Section E Crystallographic Communications |
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49 |
| title |
Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data |
| title_unstemmed |
Crystal structure of 3,14-diethyl-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-diethyl-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-diethyl-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-diethyl-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-diethyl-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-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0<sup>7,12</sup>]docosane tetrachloride tetrahydrate from synchrotron x-ray data |
| topic |
Condensed Matter Physics General Materials Science General Chemistry |
| url |
http://dx.doi.org/10.1107/s2056989021001006 |
| publishDate |
2021 |
| physical |
213-216 |
| description |
<jats:p>The crystal structure of the hydrated title salt, C<jats:sub>22</jats:sub>H<jats:sub>48</jats:sub>N<jats:sub>4</jats:sub>
<jats:sup>4+</jats:sup>·4Cl<jats:sup>−</jats:sup>·4H<jats:sub>2</jats:sub>O (C<jats:sub>22</jats:sub>H<jats:sub>48</jats:sub>N<jats:sub>4</jats:sub> = H<jats:sub>4</jats:sub>
<jats:italic>L</jats:italic> = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0<jats:sup>7,12</jats:sup>]docosane), 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 comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-<jats:italic>D</jats:italic> conformation. 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 chloride anions as acceptors, giving rise to a three-dimensional network.</jats:p> |
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| author | Moon, Dohyun, Choi, Jong-Ha |
| author_facet | Moon, Dohyun, Choi, Jong-Ha, Moon, Dohyun, Choi, Jong-Ha |
| author_sort | moon, dohyun |
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| container_start_page | 213 |
| container_title | Acta Crystallographica Section E Crystallographic Communications |
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| description | <jats:p>The crystal structure of the hydrated title salt, C<jats:sub>22</jats:sub>H<jats:sub>48</jats:sub>N<jats:sub>4</jats:sub> <jats:sup>4+</jats:sup>·4Cl<jats:sup>−</jats:sup>·4H<jats:sub>2</jats:sub>O (C<jats:sub>22</jats:sub>H<jats:sub>48</jats:sub>N<jats:sub>4</jats:sub> = H<jats:sub>4</jats:sub> <jats:italic>L</jats:italic> = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0<jats:sup>7,12</jats:sup>]docosane), 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 comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-<jats:italic>D</jats:italic> conformation. 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 chloride anions as acceptors, giving rise to a three-dimensional network.</jats:p> |
| doi_str_mv | 10.1107/s2056989021001006 |
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| imprint | International Union of Crystallography (IUCr), 2021 |
| imprint_str_mv | International Union of Crystallography (IUCr), 2021 |
| institution | DE-Brt1, DE-Zwi2, DE-D161, DE-Gla1, DE-Zi4, DE-15, DE-Pl11, DE-Rs1, DE-105, DE-14, DE-Ch1, DE-L229, DE-D275, DE-Bn3 |
| issn | 2056-9890 |
| issn_str_mv | 2056-9890 |
| language | Undetermined |
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| mega_collection | International Union of Crystallography (IUCr) (CrossRef) |
| physical | 213-216 |
| publishDate | 2021 |
| publishDateSort | 2021 |
| publisher | International Union of Crystallography (IUCr) |
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| recordtype | ai |
| series | Acta Crystallographica Section E Crystallographic Communications |
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| spelling | Moon, Dohyun Choi, Jong-Ha 2056-9890 International Union of Crystallography (IUCr) Condensed Matter Physics General Materials Science General Chemistry http://dx.doi.org/10.1107/s2056989021001006 <jats:p>The crystal structure of the hydrated title salt, C<jats:sub>22</jats:sub>H<jats:sub>48</jats:sub>N<jats:sub>4</jats:sub> <jats:sup>4+</jats:sup>·4Cl<jats:sup>−</jats:sup>·4H<jats:sub>2</jats:sub>O (C<jats:sub>22</jats:sub>H<jats:sub>48</jats:sub>N<jats:sub>4</jats:sub> = H<jats:sub>4</jats:sub> <jats:italic>L</jats:italic> = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0<jats:sup>7,12</jats:sup>]docosane), 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 comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-<jats:italic>D</jats:italic> conformation. 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 chloride anions as acceptors, giving rise to a three-dimensional network.</jats:p> Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0<sup>7,12</sup>]docosane tetrachloride tetrahydrate from synchrotron X-ray data Acta Crystallographica Section E Crystallographic Communications |
| spellingShingle | Moon, Dohyun, Choi, Jong-Ha, Acta Crystallographica Section E Crystallographic Communications, Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data, Condensed Matter Physics, General Materials Science, General Chemistry |
| title | Crystal structure of 3,14-diethyl-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-diethyl-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-diethyl-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-diethyl-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-diethyl-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-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0<sup>7,12</sup>]docosane tetrachloride tetrahydrate from synchrotron x-ray data |
| title_unstemmed | Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data |
| topic | Condensed Matter Physics, General Materials Science, General Chemistry |
| url | http://dx.doi.org/10.1107/s2056989021001006 |