Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures
The structures of a series of complexes with general formula n[Pd(pza)X]Y·mH2O (n = 1, 2; X = Cl, Br, I, N3, NCS; Y = NO3, I, N3, [Pd(SCN)4]; m = 0, 0.5, 1) have been determined, where pza is the tridentate ligand bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine, C14H23N5. In all complexes, {bis[2-(3,5-d...
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| Format: | Article |
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International Union of Crystallography
2015-01-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S205698901402595X |
| _version_ | 1818312789858451456 |
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| author | María de los Angeles Mendoza Sylvain Bernès Guillermo Mendoza-Díaz |
| author_facet | María de los Angeles Mendoza Sylvain Bernès Guillermo Mendoza-Díaz |
| author_sort | María de los Angeles Mendoza |
| collection | DOAJ |
| description | The structures of a series of complexes with general formula n[Pd(pza)X]Y·mH2O (n = 1, 2; X = Cl, Br, I, N3, NCS; Y = NO3, I, N3, [Pd(SCN)4]; m = 0, 0.5, 1) have been determined, where pza is the tridentate ligand bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine, C14H23N5. In all complexes, {bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}chloridopalladium nitrate, [Pd(pza)Cl]NO3, (1), {bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}bromidopalladium nitrate, [Pd(pza)Br]NO3, (2), {bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}iodidopalladium iodide hemihydrate, [Pd(pza)I]I·0.5H2O, (3), azido{bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}palladium azide monohydrate, [Pd(pza)N3]N3·H2O, (4), and bis[{bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}(thiocyanato-κN)palladium] tetrakis(thiocyanato-κS)palladate, [Pd(pza)NCS]2[Pd(SCN)4], (5), the [Pd(pza)X]+ complex cation displays a square-planar coordination geometry, and the pza ligand is twisted, approximating twofold rotation symmetry. Although the pza ligand is found with the same conformation along the series, the dihedral angle between pyrazole rings depends on the co-ligand X. This angle span the range 79.0 (3)–88.6 (1)° for the studied complexes. In (3), two complex cations, two I− anions and one water molecule of crystallization are present in the asymmetric unit. In (5), the central amine group of pza is disordered over two positions [occupancy ratio 0.770 (18):0.230 (18)]. The complex [Pd(SCN)4]2− anion of this compound exhibits inversion symmetry and shows the Pd2+ transition metal cation likewise in a square-planar coordination environment. Compound (5) is also a rare occurrence of a non-polymeric compound in which the pseudohalide ligand NCS− behaves both as thiocyanate and isothiocyanate, i.e. is coordinating either through the N atom (in the cation) or the S atom (in the anion). |
| first_indexed | 2024-12-13T08:23:26Z |
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| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-13T08:23:26Z |
| publishDate | 2015-01-01 |
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| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-166a8b7b76b24e868a1fd2b6439eb5012022-12-21T23:53:55ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-01-01711222710.1107/S205698901402595Xwm5076Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structuresMaría de los Angeles Mendoza0Sylvain Bernès1Guillermo Mendoza-Díaz2Departamento de Ingenierías Química Electrónica y Biomédica, División de Ciencias e Ingenierías, Campus León, Universidad de Guanajuato, Loma del Bosque 103, Lomas del Campestre, León, Guanajuato 37150, MexicoDEP Facultad de Ciencias Químicas, UANL, Guerrero y Progreso S/N, Col. Treviño, 64570 Monterrey, N.L., MexicoDepartamento de Ingenierías Química Electrónica y Biomédica, División de Ciencias e Ingenierías, Campus León, Universidad de Guanajuato, Loma del Bosque 103, Lomas del Campestre, León, Guanajuato 37150, MexicoThe structures of a series of complexes with general formula n[Pd(pza)X]Y·mH2O (n = 1, 2; X = Cl, Br, I, N3, NCS; Y = NO3, I, N3, [Pd(SCN)4]; m = 0, 0.5, 1) have been determined, where pza is the tridentate ligand bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine, C14H23N5. In all complexes, {bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}chloridopalladium nitrate, [Pd(pza)Cl]NO3, (1), {bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}bromidopalladium nitrate, [Pd(pza)Br]NO3, (2), {bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}iodidopalladium iodide hemihydrate, [Pd(pza)I]I·0.5H2O, (3), azido{bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}palladium azide monohydrate, [Pd(pza)N3]N3·H2O, (4), and bis[{bis[2-(3,5-dimethylpyrazol-1-yl-κN2)ethyl]amine-κN}(thiocyanato-κN)palladium] tetrakis(thiocyanato-κS)palladate, [Pd(pza)NCS]2[Pd(SCN)4], (5), the [Pd(pza)X]+ complex cation displays a square-planar coordination geometry, and the pza ligand is twisted, approximating twofold rotation symmetry. Although the pza ligand is found with the same conformation along the series, the dihedral angle between pyrazole rings depends on the co-ligand X. This angle span the range 79.0 (3)–88.6 (1)° for the studied complexes. In (3), two complex cations, two I− anions and one water molecule of crystallization are present in the asymmetric unit. In (5), the central amine group of pza is disordered over two positions [occupancy ratio 0.770 (18):0.230 (18)]. The complex [Pd(SCN)4]2− anion of this compound exhibits inversion symmetry and shows the Pd2+ transition metal cation likewise in a square-planar coordination environment. Compound (5) is also a rare occurrence of a non-polymeric compound in which the pseudohalide ligand NCS− behaves both as thiocyanate and isothiocyanate, i.e. is coordinating either through the N atom (in the cation) or the S atom (in the anion).http://scripts.iucr.org/cgi-bin/paper?S205698901402595Xcrystal structurecoordination compoundsbis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine (pza) ligandbis(pyrazol-1-yl)aminepalladium(II) |
| spellingShingle | María de los Angeles Mendoza Sylvain Bernès Guillermo Mendoza-Díaz Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures Acta Crystallographica Section E: Crystallographic Communications crystal structure coordination compounds bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine (pza) ligand bis(pyrazol-1-yl)amine palladium(II) |
| title | Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures |
| title_full | Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures |
| title_fullStr | Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures |
| title_full_unstemmed | Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures |
| title_short | Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures |
| title_sort | coordination of bis pyrazol 1 yl amine to palladium ii influence of the co ligands and counter ions on the molecular and crystal structures |
| topic | crystal structure coordination compounds bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine (pza) ligand bis(pyrazol-1-yl)amine palladium(II) |
| url | http://scripts.iucr.org/cgi-bin/paper?S205698901402595X |
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