Crystal structure of bis(lidocaine) tetrathiocyanonickelate(II) dihydrate
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AMIRKHANASHVILI, Koba, SOBOLEV, Alexander, ZHORZHOLIANI, Nani, TSITSISHVILI, Vladimer, VARDOSANIDZE, Teimuraz. Crystal structure of bis(lidocaine) tetrathiocyanonickelate(II) dihydrate. In: Achievements and perspectives of modern chemistry, 9-11 octombrie 2019, Chişinău. Chisinau, Republic of Moldova: Tipografia Academiei de Ştiinţe a Moldovei, 2019, p. 67. ISBN 978-9975-62-428-2.
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Achievements and perspectives of modern chemistry 2019
Conferința "International Conference "Achievements and perspectives of modern chemistry""
Chişinău, Moldova, 9-11 octombrie 2019

Crystal structure of bis(lidocaine) tetrathiocyanonickelate(II) dihydrate


Pag. 67-67

Amirkhanashvili Koba1, Sobolev Alexander2, Zhorzholiani Nani1, Tsitsishvili Vladimer, Vardosanidze Teimuraz1
 
1 Petre Melikishvili Institute of Physical and Organic Chemistry at Ivane Javakhishvili Tbilisi State University,
2 University of Western Australia
 
 
Disponibil în IBN: 4 noiembrie 2019


Rezumat

Lidocaine is a drug used as an anesthetic and for the treatment of chronic pain. Nickel(II) complex of lidocaine was prepared in water-methanol solution (pH=7) with 1:2:4 molar ratio of the nickel chloride, lidocaine, and potassium thiocyanate. Resulting bis(lidocaine) tetrathiocyanatonickelate(II) dihydrate, (LidH)2[Ni(NCS)4]·2H2O, crystallizes in the monoclinic space group P21/c with a = 18.3509(5), b = 7.6532(2), c = 14.9585(4) Å, beta= 109.964(2)°, V=1974.57(9)Å3, and Z = 2 (Cambridge Crystallographic Data Centre 1859310). Coordination of the Ni2+ ion with ligands generates octahedral anion Ni[(NCS4).2H2O]2– with N-bonded thiocyanates, while two protonated cations LidH+ remain in an outer coordination field.The anion and cation are also associated by H-bonds: the sulphur atom S1 interacts with hydrogen atoms covalently bonded to the nitrogen N111 and carbon C113 atoms, and the atom S2 forms a H-bond with the atom C116. The atom H114 of protonated diethylamino-N-group forms a bifurcated H-bond with the carbonyl atom O112 and the sulphur atom S1iv of neighbouring unit cell, the carbon atom C115 forms a weak H-bond with O01Wi of the water molecule in neighbouring unit cell, and hydrogen atoms of water molecule are included in hydrogen bonding between the oxygen atom O01W and the sulphur atoms S2ii and S2iii of the neighbouring unit cells (Symmetry codes: (i) -x+1,-y+1, -z+1; (ii) -x+1, y+1/2, -z+1/2; (iii) x, y+1, z; (iv) x, y-1, z).