A new example of intramolecular C—H⋅⋅⋅Ni anagostic interactionssynthesis, crystal structure and Hirshfeld analysis of cis-bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ2N1,S]nickel(II) dimethylformamide monosolvate
A new example of intramolecular C—H⋅⋅⋅Ni anagostic interactions
synthesis, crystal structure and Hirshfeld analysis of cis-bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ2N1,S]nickel(II) dimethylformamide monosolvate
Dokument öffnen (1MB)Datum der Veröffentlichung
19.05.2017Verlag / herausgebende Einrichtung
IUCrVerlagsort
Chester, EnglandMetadaten
Zur Langanzeige
Zitierbarer Link (Handle URI) 
https://hdl.handle.net/20.500.11811/14332
Inhalt
The reaction of NiII acetate tetrahydrate with 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide in a 2:1 molar ratio and recrystallization from dimethylformamide yielded the title compound, [Ni(C12H14N3S)2]⋅C3H7NO. The ligands act as monoanionic κ2N1,S-donors, forming five-membered metallarings. The NiII ion is fourfold coordinated in a distorted square-planar cis-configuration, which is rather uncommon for monothiosemicarbazone complexes. Intramolecular H⋅⋅⋅Ni trans-interactions are observed [H⋅⋅⋅Ni distances are 2.50 and 2.57 Å] and thus anagostic interactions can be suggested. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H⋅⋅⋅H (66.6%), H⋅⋅⋅S (12.3%) and H⋅⋅⋅C (10.9%) interactions. In the crystal, the complex molecules are linked by dimethylformamide solvent molecules through N—H⋅⋅⋅O interactions into one-dimensional hydrogen-bonded polymers along [010].
Schlagwörter
crystal structure, Ni—H anagostic interaction, nickel-thiosemicarbazone cis complex
Klassifikation (DDC)
540 ChemieErschienen in
Acta crystallographica. Section E, Crystallographic communications, 2017, volume 73, part 6, S. 859-863Erstpublikation
https://doi.org/10.1107/S2056989017007198Bof de Oliveira, Adriano; Beck, Johannes; Brown S. Mellone, Sônia Elizabeth; Daniels, Jörg: A new example of intramolecular C—H⋅⋅⋅Ni anagostic interactions : synthesis, crystal structure and Hirshfeld analysis of cis-bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ2N1,S]nickel(II) dimethylformamide monosolvate. In: Acta crystallographica. Section E, Crystallographic communications. 2017, volume 73, part 6, 859-863.
Online-Ausgabe in bonndoc: https://hdl.handle.net/20.500.11811/14332
Online-Ausgabe in bonndoc: https://hdl.handle.net/20.500.11811/14332
@article{handle:20.500.11811/14332,
author = {{Adriano Bof de Oliveira} and {Johannes Beck} and {Sônia Elizabeth Brown S. Mellone} and {Jörg Daniels}},
title = {A new example of intramolecular C—H⋅⋅⋅Ni anagostic interactions : synthesis, crystal structure and Hirshfeld analysis of cis-bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ2N1,S]nickel(II) dimethylformamide monosolvate},
publisher = {IUCr},
year = 2017,
month = may,
journal = {Acta crystallographica. Section E, Crystallographic communications},
volume = 2017, volume 73,
number = part 6,
pages = 859--863,
note = {The reaction of NiII acetate tetrahydrate with 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide in a 2:1 molar ratio and recrystallization from dimethylformamide yielded the title compound, [Ni(C12H14N3S)2]⋅C3H7NO. The ligands act as monoanionic κ2N1,S-donors, forming five-membered metallarings. The NiII ion is fourfold coordinated in a distorted square-planar cis-configuration, which is rather uncommon for monothiosemicarbazone complexes. Intramolecular H⋅⋅⋅Ni trans-interactions are observed [H⋅⋅⋅Ni distances are 2.50 and 2.57 Å] and thus anagostic interactions can be suggested. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H⋅⋅⋅H (66.6%), H⋅⋅⋅S (12.3%) and H⋅⋅⋅C (10.9%) interactions. In the crystal, the complex molecules are linked by dimethylformamide solvent molecules through N—H⋅⋅⋅O interactions into one-dimensional hydrogen-bonded polymers along [010].},
url = {https://hdl.handle.net/20.500.11811/14332}
}
author = {{Adriano Bof de Oliveira} and {Johannes Beck} and {Sônia Elizabeth Brown S. Mellone} and {Jörg Daniels}},
title = {A new example of intramolecular C—H⋅⋅⋅Ni anagostic interactions : synthesis, crystal structure and Hirshfeld analysis of cis-bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ2N1,S]nickel(II) dimethylformamide monosolvate},
publisher = {IUCr},
year = 2017,
month = may,
journal = {Acta crystallographica. Section E, Crystallographic communications},
volume = 2017, volume 73,
number = part 6,
pages = 859--863,
note = {The reaction of NiII acetate tetrahydrate with 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide in a 2:1 molar ratio and recrystallization from dimethylformamide yielded the title compound, [Ni(C12H14N3S)2]⋅C3H7NO. The ligands act as monoanionic κ2N1,S-donors, forming five-membered metallarings. The NiII ion is fourfold coordinated in a distorted square-planar cis-configuration, which is rather uncommon for monothiosemicarbazone complexes. Intramolecular H⋅⋅⋅Ni trans-interactions are observed [H⋅⋅⋅Ni distances are 2.50 and 2.57 Å] and thus anagostic interactions can be suggested. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H⋅⋅⋅H (66.6%), H⋅⋅⋅S (12.3%) and H⋅⋅⋅C (10.9%) interactions. In the crystal, the complex molecules are linked by dimethylformamide solvent molecules through N—H⋅⋅⋅O interactions into one-dimensional hydrogen-bonded polymers along [010].},
url = {https://hdl.handle.net/20.500.11811/14332}
}
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