Crystal structure of tetraaquabis(3,5-diamino-4H-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate
The asymmetric unit of the title compound, [Co(C2H6N5)2(H2O)4][Co(C7H3NO4)2]2·2H2O, features 1.5 CoII ions (one anionic complex and one half cationic complex) and one water molecule. In the cationic complex, the CoII atom is located on an inversion centre and is coordinated by two triazolium cations...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-06-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015010014 |
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| author | Atim Johnson Justina Mbonu Zahid Hussain Wan-Sin Loh Hoong-Kun Fun |
| author_facet | Atim Johnson Justina Mbonu Zahid Hussain Wan-Sin Loh Hoong-Kun Fun |
| author_sort | Atim Johnson |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, [Co(C2H6N5)2(H2O)4][Co(C7H3NO4)2]2·2H2O, features 1.5 CoII ions (one anionic complex and one half cationic complex) and one water molecule. In the cationic complex, the CoII atom is located on an inversion centre and is coordinated by two triazolium cations and four water molecules, adopting an octahedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water molecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38 Å between their planes). In the anionic complex, the CoII ion is six-coordinated by two N and four O atoms of the two pyridine-2,6-dicarboxylate anions, exhibiting a slightly distorted octahedral coordination geometry in which the mean plane of the two pyridine-2,6-dicarboxylate anions are almost perpendicular to each other, making a dihedral angle of 85.87 (2)°. In the crystal, molecules are linked into a three-dimensional network via C—H...O, C—H...N, O—H...O and N—H...O hydrogen bonds. |
| first_indexed | 2024-12-24T04:27:23Z |
| format | Article |
| id | doaj.art-c5722b3bcc9844e39291884a82cf65f7 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-24T04:27:23Z |
| publishDate | 2015-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-c5722b3bcc9844e39291884a82cf65f72022-12-21T17:15:32ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-06-01716m139m14010.1107/S2056989015010014zl2619Crystal structure of tetraaquabis(3,5-diamino-4H-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrateAtim Johnson0Justina Mbonu1Zahid Hussain2Wan-Sin Loh3Hoong-Kun Fun4H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75720, PakistanDepartment of Chemistry, Federal University of Petroleum Recourses Effurun, Delta State, NigeriaH. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75720, PakistanX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, MalaysiaX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, MalaysiaThe asymmetric unit of the title compound, [Co(C2H6N5)2(H2O)4][Co(C7H3NO4)2]2·2H2O, features 1.5 CoII ions (one anionic complex and one half cationic complex) and one water molecule. In the cationic complex, the CoII atom is located on an inversion centre and is coordinated by two triazolium cations and four water molecules, adopting an octahedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water molecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38 Å between their planes). In the anionic complex, the CoII ion is six-coordinated by two N and four O atoms of the two pyridine-2,6-dicarboxylate anions, exhibiting a slightly distorted octahedral coordination geometry in which the mean plane of the two pyridine-2,6-dicarboxylate anions are almost perpendicular to each other, making a dihedral angle of 85.87 (2)°. In the crystal, molecules are linked into a three-dimensional network via C—H...O, C—H...N, O—H...O and N—H...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S2056989015010014crystal structurepyridine-2,6-dicarboxylatetriazoliumCoII complexhydrogen bonding |
| spellingShingle | Atim Johnson Justina Mbonu Zahid Hussain Wan-Sin Loh Hoong-Kun Fun Crystal structure of tetraaquabis(3,5-diamino-4H-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate Acta Crystallographica Section E: Crystallographic Communications crystal structure pyridine-2,6-dicarboxylate triazolium CoII complex hydrogen bonding |
| title | Crystal structure of tetraaquabis(3,5-diamino-4H-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate |
| title_full | Crystal structure of tetraaquabis(3,5-diamino-4H-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate |
| title_fullStr | Crystal structure of tetraaquabis(3,5-diamino-4H-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate |
| title_full_unstemmed | Crystal structure of tetraaquabis(3,5-diamino-4H-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate |
| title_short | Crystal structure of tetraaquabis(3,5-diamino-4H-1,2,4-triazol-1-ium)cobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] dihydrate |
| title_sort | crystal structure of tetraaquabis 3 5 diamino 4h 1 2 4 triazol 1 ium cobalt ii bis bis pyridine 2 6 dicarboxylato cobaltate ii dihydrate |
| topic | crystal structure pyridine-2,6-dicarboxylate triazolium CoII complex hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015010014 |
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