0000000000280200
AUTHOR
J.-p. Legros
Electronic properties and crystal structure of aqua (mepirizole-oxalato)copper(II)monohydrate: [Cu(C11H14N4O2)C2O4·H2O]H2O
Abstract A Cu(ll) complex with mepirizole: 4-methoxy-2-(5-methoxy-3-methyl-pyrazoll-yl)-6-methylpyrimidine (L) and oxalate as ligands with the formula [CuL(C2O4)(H2O)]·H2O has been synthesized. The crystal structure has been determined by X-ray diffraction analysis: monoclinic, space group P21/n, Z = 4, a = 7.707(1), b = 14.951(3), c = 14.986(2) A,β = 92.40(2)°, V = 1725.2(8) A3, Dm = 1.61(1) g cm−3, Dc = 1.62 g cm−3, R = 0.032 and Rw = 0.035 for 2016 observed reflections. The CuN2O2O′chromophore can be described as square pyramidal strongly distorted towards trigonal bipyramidal. The basal coordination positions are occupied by the two oxygen atoms of the bidentate oxalate group, the coord…
Synthesis, properties and crystal structure of bis(metiamide)bis(isothiocyanato)nickel(II)
Abstract The crystal structure of Ni(metiamide)2(NCS)2 was determined by X-ray diffraction methods. Unlike cimetidine, which is a tridentate ligand, metiamide (C9H16N4S2): N-Methyl-N-[2-{(5-methylimidazol-4-yl)methylthio}ethyl]thiourea (which also possesses three potential donor sites) is bidentate, coordinated to the nickel atom through N(imidazole) and S(thioether) atoms. The S(thiourea) atom does not take part in the coordination; instead, the isothiocyanate ion is coordinated through nitrogen to the metal atom. The nickel atom lies on a centre of symmetry in an elongated octahedral environment: the nitrogen atoms occupy equatorial positions (NiN = 2.04 and 2.06 A) and S(thioether) atom…
Crystal and molecular structure of tris(mepirizole) copper(II) hexafluorophosphate [mepirizole = 4-methoxy-2-5-methoxy-3-methyl-1h-pyrazol-1-yl)-6-methylpyrimidine
Abstract The X-ray crystal structure of Cu(mep)3(PF6)2 [mep = mepirizole or 4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6 methylpyrimidine], obtained from stoichiometric quantities of mep, Cu(NO3)2 and KPF6 in water/ethanol solution was determined. The trisbidentate Cu(mep)32+ cation is observed for the first time. One of the three mep molecules is disordered over two sets of positions related by crystallographic symmetry. The mep molecules exhibit two different conformations A and B: conformation B, which is observed for the first time, derives from the usual conformation A by rotating the pyrimidine ring by 180° around the central CN bond and rotating by 180° the methoxy group bonde…
Crystal structure of copper(II) cimetidine sulphate nonahydrate. Cation distortion and structure isomerism in three copper(II) cimetidine complexes
Abstract In the crystalline state, the complex [Cu(CM) 2 ]SO 4 ·9H 2 O (CM = cimetidine) is constituted of two-dimensional cations[Cu(CM) 2 2+ ] n separated by SO 4 2− anions and water molecules. As in the related complexes [Cu(CM) 2 ](ClO 4 ) 2 and [Cu(CM) 2 ](NO 3 ) 2 , the copper atom lies in a strongly distorted octahedral CuN 4 S 2 environment. The distortion is quite different from one complex to another (cation distortion isomerism). In the title compound the CuS bond is unusually long (2.91 A). Unlike the title compound, the [Cu(CM) 2 2+ ] n cations in the perchlorate and nitrate salts are one-dimensional infinite chains characterized by different conformations of the cimetidine mo…