Crystal structure of [5-n-butyl-10-(2,5-dimethoxyphenyl)-2,3,7,8,13,12,17,18-octaethylporphyrinato]nickel(II)
| Autor: | Mathias O. Senge, Ebrahim Mohamed Mothi, Lisa Kötzner, Keith J. Flanagan |
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| Jazyk: | angličtina |
| Rok vydání: | 2015 |
| Předmět: |
crystal structure
Stereochemistry Substituent chemistry.chemical_element Crystal structure Structural decomposition 2 3 7 8 12 13 17 18-octaethylporphyrin Research Communications normal structural decomposition (NSD) method chemistry.chemical_compound Moiety General Materials Science 2 3 7 8 12 13 17 18-octaethylporphyrin nickel(II) complexes Crystallography General Chemistry Condensed Matter Physics Porphyrin 3. Good health Bond length Nickel chemistry 5 10-disubstituted porphyrins QD901-999 NiII porphyrin |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 11, Pp 1397-1400 (2015) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| Popis: | The title compound contains one independent molecule which exhibits an overall ruffled conformation, with an average Ni—N bond length of 1.917 (13) Å. The molecules form a closely spaced lattice structure in which neighbouring porphyrins are oriented in inversion-related dimers. The asymmetric unit of the title nickel(II) porphyrin, [Ni(C48H60N4O2)], contains one independent molecule. The average Ni—N bond length is 1.917 (13) Å. The molecules are arranged in a closely spaced lattice structure in which neighbouring porphyrins are oriented in inversion-related dimers. The nickel(II) porphyrin is characterized by a significant degree of a ruffled (B 1u) conformation with small contributions from saddle (B 2u) and wave (y) [Eg(y)], as determined using normal structural decomposition. Disorder in the 2,5-dimethoxyphenyl substituent was modelled over two positions with a 60% occupancy for the major moiety. One of the ethyl groups is also disordered over two positions and was modelled with the major moiety being present in 51.3% occupancy. |
| Databáze: | OpenAIRE |
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