Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions
The asymmetric units of catena-poly[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-sulfato-κ2O3:O4], [Ni(SO4)(C10H24N4)]n (I), and catena-poly[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-sulfato-κ2O3:O4] hemi[4,4′,4′′,4′′′-(2,2′,4,4′,6,6′-hexamethyl-[1,1′-bip...
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International Union of Crystallography
2025-02-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989024012337 |
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| author | Liudmyla V. Tsymbal Irina L. Andriichuk Lucian G. Bahrin Yaroslaw D. Lampeka |
| author_facet | Liudmyla V. Tsymbal Irina L. Andriichuk Lucian G. Bahrin Yaroslaw D. Lampeka |
| author_sort | Liudmyla V. Tsymbal |
| collection | DOAJ |
| description | The asymmetric units of catena-poly[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-sulfato-κ2O3:O4], [Ni(SO4)(C10H24N4)]n (I), and catena-poly[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-sulfato-κ2O3:O4] hemi[4,4′,4′′,4′′′-(2,2′,4,4′,6,6′-hexamethyl-[1,1′-biphenyl]-3,3′,5,5′-tetrayl)tetrabenzoic acid] nonahydrate], {[Ni(SO4)(C10H24N4)]2·C46H38O8·18H2O}n (II), consist of two crystallographically unique centrosymmetric macrocyclic dications and a sulfate dianion. In II it includes additionally a molecule of the undissociated acid (2,2′,4,4′,6,6′-hexamethyl[1,1′-biphenyl]-3,3′,5,5′-tetrayl)tetra(benzoic acid) located on a crystallographic twofold axis and nine highly disordered water molecules of crystallization. In both compounds, the metal ions are coordinated in the equatorial plane by the four secondary N atoms of the macrocyclic ligand, which adopts the most energetically stable trans-III conformation. Two O atoms of the sulfate anions occupy the trans-axial positions resulting in a slightly tetragonally distorted trans-NiN4O2 octahedral coordination geometry. The crystals of both compounds are composed of parallel coordination polymeric chains running along the [101] and [100] directions in I and II, respectively. The distances between the neighboring metal ions in the chains are significantly different [6.5121 (6) Å in I and 6.0649 (3) Å in II] and this peculiarity is explained by the different spatial directivity of the Ni—O coordination bonds (different S—O—Ni angles). As a result of the C—H...O hydrogen bonds between the methylene groups of the macrocyclic ligands and the non-coordinated O atoms of the sulfate anion, the coordination-polymeric chains in I are arranged in the two-dimensional layers oriented parallel to the (010) and (101) planes, the intersection of which provides the three-dimensional coherence of the crystals. The three-dimensional supramolecular structure of the crystals II is determined by the network of strong hydrogen bonds formed by the carboxylic acid and the non-coordinated O atoms of the sulfate anions. |
| format | Article |
| id | doaj-art-4de8920130aa44a69028ff4e2fc65d17 |
| institution | Kabale University |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | International Union of Crystallography |
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| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-4de8920130aa44a69028ff4e2fc65d172025-02-06T07:27:16ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-02-01812909510.1107/S2056989024012337hb8118Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anionsLiudmyla V. Tsymbal0Irina L. Andriichuk1Lucian G. Bahrin2Yaroslaw D. Lampeka3L. V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine, Prospekt Nauki 31, 03028, Kyiv, UkraineL. V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine, Prospekt Nauki 31, 03028, Kyiv, Ukraine"Petru Poni" Institute of Macromolecular Chemistry, Aleea Gr. Ghica Voda 41A, RO 700487 Iasi, RomaniaL. V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine, Prospekt Nauki 31, 03028, Kyiv, UkraineThe asymmetric units of catena-poly[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-sulfato-κ2O3:O4], [Ni(SO4)(C10H24N4)]n (I), and catena-poly[[(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)nickel(II)]-μ2-sulfato-κ2O3:O4] hemi[4,4′,4′′,4′′′-(2,2′,4,4′,6,6′-hexamethyl-[1,1′-biphenyl]-3,3′,5,5′-tetrayl)tetrabenzoic acid] nonahydrate], {[Ni(SO4)(C10H24N4)]2·C46H38O8·18H2O}n (II), consist of two crystallographically unique centrosymmetric macrocyclic dications and a sulfate dianion. In II it includes additionally a molecule of the undissociated acid (2,2′,4,4′,6,6′-hexamethyl[1,1′-biphenyl]-3,3′,5,5′-tetrayl)tetra(benzoic acid) located on a crystallographic twofold axis and nine highly disordered water molecules of crystallization. In both compounds, the metal ions are coordinated in the equatorial plane by the four secondary N atoms of the macrocyclic ligand, which adopts the most energetically stable trans-III conformation. Two O atoms of the sulfate anions occupy the trans-axial positions resulting in a slightly tetragonally distorted trans-NiN4O2 octahedral coordination geometry. The crystals of both compounds are composed of parallel coordination polymeric chains running along the [101] and [100] directions in I and II, respectively. The distances between the neighboring metal ions in the chains are significantly different [6.5121 (6) Å in I and 6.0649 (3) Å in II] and this peculiarity is explained by the different spatial directivity of the Ni—O coordination bonds (different S—O—Ni angles). As a result of the C—H...O hydrogen bonds between the methylene groups of the macrocyclic ligands and the non-coordinated O atoms of the sulfate anion, the coordination-polymeric chains in I are arranged in the two-dimensional layers oriented parallel to the (010) and (101) planes, the intersection of which provides the three-dimensional coherence of the crystals. The three-dimensional supramolecular structure of the crystals II is determined by the network of strong hydrogen bonds formed by the carboxylic acid and the non-coordinated O atoms of the sulfate anions.https://journals.iucr.org/paper?S2056989024012337crystal structurecoordination polymercyclamnickelsulfatehydrogen bonds |
| spellingShingle | Liudmyla V. Tsymbal Irina L. Andriichuk Lucian G. Bahrin Yaroslaw D. Lampeka Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions Acta Crystallographica Section E: Crystallographic Communications crystal structure coordination polymer cyclam nickel sulfate hydrogen bonds |
| title | Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions |
| title_full | Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions |
| title_fullStr | Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions |
| title_full_unstemmed | Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions |
| title_short | Syntheses and structures of two coordination polymers formed by Ni(cyclam)2+ cations and sulfate anions |
| title_sort | syntheses and structures of two coordination polymers formed by ni cyclam 2 cations and sulfate anions |
| topic | crystal structure coordination polymer cyclam nickel sulfate hydrogen bonds |
| url | https://journals.iucr.org/paper?S2056989024012337 |
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