Transition metal complexes with pyrazole-based ligands. XXII. Di-mu-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )(thiocyanato-kappa N)copper(II)] and a redetermination of bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )bis(nitrato-kappa O)-copper(II)
Апстракт
The title Cu-II complex, [Cu-2(NCS)(4)(C6H10N4)(2)], represents the first crystal structure of a polynuclear transition metal complex with the 3,5-dimethyl-1H-pyrazole-1-carboxamidine ligand (HL). It is compared with previously reported crystal structures of metal complexes with the same HL ligand. The molecule contains an eight-membered binuclear Cu-2(NCS)(2) ring, which is centrosymmetric and in a chair conformation. The Cu atom has a distorted square-pyramidal geometry with a very elongated Cu-S bond of 2.993 (2) angstrom. The crystal structure redetermination of the bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa(2)N,N) bis(nitrato-kappa O) copper(II) complex, [Cu(NO3)(2)(C6H10N4)(2)], and analysis of its hydrogen bonds confirm the significance of the NO3 groups in the formation of a three-dimensional hydrogen-bonding network. Both complexes are centrosymmetric, the inversion centre being located at the mid-point of the Cu center dot center dot center dot Cu line in (I) and the ...Cu atom being located at the inversion centre in (II).
Извор:
Acta Crystallographica. Section C: Crystal Structure Communications, 2005, 61, M376-M379
DOI: 10.1107/S0108270105018913
ISSN: 0108-2701
PubMed: 16082085
WoS: 000230987100003
Scopus: 2-s2.0-30844467770
Колекције
Институција/група
VinčaTY - JOUR AU - Bogdanović, Goran A. AU - Jacimovic, ZK AU - Leovac, Vukadin M. PY - 2005 UR - https://vinar.vin.bg.ac.rs/handle/123456789/2562 AB - The title Cu-II complex, [Cu-2(NCS)(4)(C6H10N4)(2)], represents the first crystal structure of a polynuclear transition metal complex with the 3,5-dimethyl-1H-pyrazole-1-carboxamidine ligand (HL). It is compared with previously reported crystal structures of metal complexes with the same HL ligand. The molecule contains an eight-membered binuclear Cu-2(NCS)(2) ring, which is centrosymmetric and in a chair conformation. The Cu atom has a distorted square-pyramidal geometry with a very elongated Cu-S bond of 2.993 (2) angstrom. The crystal structure redetermination of the bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa(2)N,N) bis(nitrato-kappa O) copper(II) complex, [Cu(NO3)(2)(C6H10N4)(2)], and analysis of its hydrogen bonds confirm the significance of the NO3 groups in the formation of a three-dimensional hydrogen-bonding network. Both complexes are centrosymmetric, the inversion centre being located at the mid-point of the Cu center dot center dot center dot Cu line in (I) and the Cu atom being located at the inversion centre in (II). T2 - Acta Crystallographica. Section C: Crystal Structure Communications T1 - Transition metal complexes with pyrazole-based ligands. XXII. Di-mu-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )(thiocyanato-kappa N)copper(II)] and a redetermination of bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )bis(nitrato-kappa O)-copper(II) VL - 61 SP - M376 EP - M379 DO - 10.1107/S0108270105018913 ER -
@article{ author = "Bogdanović, Goran A. and Jacimovic, ZK and Leovac, Vukadin M.", year = "2005", abstract = "The title Cu-II complex, [Cu-2(NCS)(4)(C6H10N4)(2)], represents the first crystal structure of a polynuclear transition metal complex with the 3,5-dimethyl-1H-pyrazole-1-carboxamidine ligand (HL). It is compared with previously reported crystal structures of metal complexes with the same HL ligand. The molecule contains an eight-membered binuclear Cu-2(NCS)(2) ring, which is centrosymmetric and in a chair conformation. The Cu atom has a distorted square-pyramidal geometry with a very elongated Cu-S bond of 2.993 (2) angstrom. The crystal structure redetermination of the bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa(2)N,N) bis(nitrato-kappa O) copper(II) complex, [Cu(NO3)(2)(C6H10N4)(2)], and analysis of its hydrogen bonds confirm the significance of the NO3 groups in the formation of a three-dimensional hydrogen-bonding network. Both complexes are centrosymmetric, the inversion centre being located at the mid-point of the Cu center dot center dot center dot Cu line in (I) and the Cu atom being located at the inversion centre in (II).", journal = "Acta Crystallographica. Section C: Crystal Structure Communications", title = "Transition metal complexes with pyrazole-based ligands. XXII. Di-mu-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )(thiocyanato-kappa N)copper(II)] and a redetermination of bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )bis(nitrato-kappa O)-copper(II)", volume = "61", pages = "M376-M379", doi = "10.1107/S0108270105018913" }
Bogdanović, G. A., Jacimovic, Z.,& Leovac, V. M.. (2005). Transition metal complexes with pyrazole-based ligands. XXII. Di-mu-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )(thiocyanato-kappa N)copper(II)] and a redetermination of bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )bis(nitrato-kappa O)-copper(II). in Acta Crystallographica. Section C: Crystal Structure Communications, 61, M376-M379. https://doi.org/10.1107/S0108270105018913
Bogdanović GA, Jacimovic Z, Leovac VM. Transition metal complexes with pyrazole-based ligands. XXII. Di-mu-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )(thiocyanato-kappa N)copper(II)] and a redetermination of bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )bis(nitrato-kappa O)-copper(II). in Acta Crystallographica. Section C: Crystal Structure Communications. 2005;61:M376-M379. doi:10.1107/S0108270105018913 .
Bogdanović, Goran A., Jacimovic, ZK, Leovac, Vukadin M., "Transition metal complexes with pyrazole-based ligands. XXII. Di-mu-thiocyanato-bis[(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )(thiocyanato-kappa N)copper(II)] and a redetermination of bis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N )bis(nitrato-kappa O)-copper(II)" in Acta Crystallographica. Section C: Crystal Structure Communications, 61 (2005):M376-M379, https://doi.org/10.1107/S0108270105018913 . .