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Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate
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| Zeitschriftentitel: | Acta Crystallographica Section E Crystallographic Communications |
|---|---|
| Personen und Körperschaften: | , |
| In: | Acta Crystallographica Section E Crystallographic Communications, 77, 2021, 5, S. 569-572 |
| 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 diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate 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/s2056989021004382 <jats:p>The crystal structure of the novel hydrated Cu<jats:sup>II</jats:sup> salt, [Cu(<jats:italic>L</jats:italic>)(H<jats:sub>2</jats:sub>O)<jats:sub>2</jats:sub>]Cl<jats:sub>2</jats:sub>·4H<jats:sub>2</jats:sub>O (<jats:italic>L</jats:italic> = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0<jats:sup>7,12</jats:sup>]docosane, C<jats:sub>22</jats:sub>H<jats:sub>44</jats:sub>N<jats:sub>4</jats:sub>) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(<jats:italic>L</jats:italic>)(H<jats:sub>2</jats:sub>O)<jats:sub>2</jats:sub>]<jats:sup>2+</jats:sup> cation (completed by crystallographic inversion symmetry), one chloride anion and two lattice water molecules. The copper(II) atom exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two O atoms from water molecules in axial positions. The latter exhibit a long axial Cu—O bond length of 2.7866 (16) Å due to the Jahn–Teller distortion. The macrocyclic ring adopts a stable <jats:italic>trans</jats:italic>-III conformation with typical Cu—N bond lengths of 2.0240 (11) and 2.0441 (3) Å. The complex is stabilized by hydrogen bonds formed between the O atoms of coordinated water molecules and the NH groups as donors, and chloride anions as acceptors. The chloride anions are further connected to the lattice water solvent molecules through O—H...Cl hydrogen bonds, giving rise to a three-dimensional network structure.</jats:p> Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0<sup>7,12</sup>]docosane)copper(II) dichloride tetrahydrate Acta Crystallographica Section E Crystallographic Communications |
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10.1107/s2056989021004382 |
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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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Acta Crystallographica Section E Crystallographic Communications |
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| title |
Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_unstemmed |
Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_full |
Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_fullStr |
Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_full_unstemmed |
Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_short |
Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_sort |
crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0<sup>7,12</sup>]docosane)copper(ii) dichloride tetrahydrate |
| topic |
Condensed Matter Physics General Materials Science General Chemistry |
| url |
http://dx.doi.org/10.1107/s2056989021004382 |
| publishDate |
2021 |
| physical |
569-572 |
| description |
<jats:p>The crystal structure of the novel hydrated Cu<jats:sup>II</jats:sup> salt, [Cu(<jats:italic>L</jats:italic>)(H<jats:sub>2</jats:sub>O)<jats:sub>2</jats:sub>]Cl<jats:sub>2</jats:sub>·4H<jats:sub>2</jats:sub>O (<jats:italic>L</jats:italic> = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0<jats:sup>7,12</jats:sup>]docosane, C<jats:sub>22</jats:sub>H<jats:sub>44</jats:sub>N<jats:sub>4</jats:sub>) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(<jats:italic>L</jats:italic>)(H<jats:sub>2</jats:sub>O)<jats:sub>2</jats:sub>]<jats:sup>2+</jats:sup> cation (completed by crystallographic inversion symmetry), one chloride anion and two lattice water molecules. The copper(II) atom exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two O atoms from water molecules in axial positions. The latter exhibit a long axial Cu—O bond length of 2.7866 (16) Å due to the Jahn–Teller distortion. The macrocyclic ring adopts a stable <jats:italic>trans</jats:italic>-III conformation with typical Cu—N bond lengths of 2.0240 (11) and 2.0441 (3) Å. The complex is stabilized by hydrogen bonds formed between the O atoms of coordinated water molecules and the NH groups as donors, and chloride anions as acceptors. The chloride anions are further connected to the lattice water solvent molecules through O—H...Cl hydrogen bonds, giving rise to a three-dimensional network structure.</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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| description | <jats:p>The crystal structure of the novel hydrated Cu<jats:sup>II</jats:sup> salt, [Cu(<jats:italic>L</jats:italic>)(H<jats:sub>2</jats:sub>O)<jats:sub>2</jats:sub>]Cl<jats:sub>2</jats:sub>·4H<jats:sub>2</jats:sub>O (<jats:italic>L</jats:italic> = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0<jats:sup>7,12</jats:sup>]docosane, C<jats:sub>22</jats:sub>H<jats:sub>44</jats:sub>N<jats:sub>4</jats:sub>) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(<jats:italic>L</jats:italic>)(H<jats:sub>2</jats:sub>O)<jats:sub>2</jats:sub>]<jats:sup>2+</jats:sup> cation (completed by crystallographic inversion symmetry), one chloride anion and two lattice water molecules. The copper(II) atom exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two O atoms from water molecules in axial positions. The latter exhibit a long axial Cu—O bond length of 2.7866 (16) Å due to the Jahn–Teller distortion. The macrocyclic ring adopts a stable <jats:italic>trans</jats:italic>-III conformation with typical Cu—N bond lengths of 2.0240 (11) and 2.0441 (3) Å. The complex is stabilized by hydrogen bonds formed between the O atoms of coordinated water molecules and the NH groups as donors, and chloride anions as acceptors. The chloride anions are further connected to the lattice water solvent molecules through O—H...Cl hydrogen bonds, giving rise to a three-dimensional network structure.</jats:p> |
| doi_str_mv | 10.1107/s2056989021004382 |
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| imprint | International Union of Crystallography (IUCr), 2021 |
| imprint_str_mv | International Union of Crystallography (IUCr), 2021 |
| institution | DE-Gla1, DE-Zi4, DE-15, DE-Pl11, DE-Rs1, DE-105, DE-14, DE-Ch1, DE-L229, DE-D275, DE-Bn3, DE-Brt1, DE-Zwi2, DE-D161 |
| issn | 2056-9890 |
| issn_str_mv | 2056-9890 |
| language | Undetermined |
| last_indexed | 2024-03-01T18:15:53.786Z |
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| mega_collection | International Union of Crystallography (IUCr) (CrossRef) |
| physical | 569-572 |
| publishDate | 2021 |
| publishDateSort | 2021 |
| publisher | International Union of Crystallography (IUCr) |
| record_format | ai |
| 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/s2056989021004382 <jats:p>The crystal structure of the novel hydrated Cu<jats:sup>II</jats:sup> salt, [Cu(<jats:italic>L</jats:italic>)(H<jats:sub>2</jats:sub>O)<jats:sub>2</jats:sub>]Cl<jats:sub>2</jats:sub>·4H<jats:sub>2</jats:sub>O (<jats:italic>L</jats:italic> = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0<jats:sup>7,12</jats:sup>]docosane, C<jats:sub>22</jats:sub>H<jats:sub>44</jats:sub>N<jats:sub>4</jats:sub>) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(<jats:italic>L</jats:italic>)(H<jats:sub>2</jats:sub>O)<jats:sub>2</jats:sub>]<jats:sup>2+</jats:sup> cation (completed by crystallographic inversion symmetry), one chloride anion and two lattice water molecules. The copper(II) atom exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two O atoms from water molecules in axial positions. The latter exhibit a long axial Cu—O bond length of 2.7866 (16) Å due to the Jahn–Teller distortion. The macrocyclic ring adopts a stable <jats:italic>trans</jats:italic>-III conformation with typical Cu—N bond lengths of 2.0240 (11) and 2.0441 (3) Å. The complex is stabilized by hydrogen bonds formed between the O atoms of coordinated water molecules and the NH groups as donors, and chloride anions as acceptors. The chloride anions are further connected to the lattice water solvent molecules through O—H...Cl hydrogen bonds, giving rise to a three-dimensional network structure.</jats:p> Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0<sup>7,12</sup>]docosane)copper(II) dichloride tetrahydrate Acta Crystallographica Section E Crystallographic Communications |
| spellingShingle | Moon, Dohyun, Choi, Jong-Ha, Acta Crystallographica Section E Crystallographic Communications, Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate, Condensed Matter Physics, General Materials Science, General Chemistry |
| title | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_full | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_fullStr | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_full_unstemmed | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_short | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| title_sort | crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0<sup>7,12</sup>]docosane)copper(ii) dichloride tetrahydrate |
| title_unstemmed | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate |
| topic | Condensed Matter Physics, General Materials Science, General Chemistry |
| url | http://dx.doi.org/10.1107/s2056989021004382 |