Bis[5-(4-bromophenyl)-4-(tert-butoxycarbonyl)pyrrolidine-2-carboxylato]copper(II) dihydrate

Kudryavtsev, Konstantin V.
Churakov, Andrei V.
Doğan, Özdemir
In the title compound, [Cu(C16H19BrNO4)(2)]center dot 2H(2)O, the Cu-II ion resides on an inversion centre and is coordinated by two O and two N atoms from two enantiomeric 5-(4-bromophenyl)-4-(tert-butoxycarbonyl)pyrrolidine-2-carboxylate ligands in a distorted square-planar geometry. The relative stereochemistry of the three stereogenic C atoms in each ligand has been determined. In the crystal, intermolecular N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds link the molecules into layers parallel to the bc plane. The crystal studied was twinned by pseudomerohedry with twin fractions of 0.719 (3) and 0.281 (3).
Acta Crystallographica Section E Structure Reports Online


Kudryavtsev, Konstantin V.; Churakov, Andrei V.; Doğan, Özdemir (2011-12-01)
In the title compound, C(21)H(21)N(3)O(3), the relative stereochemistry of the four stereogenic C atoms has been determined. The dihedral angle between the phenyl rings is 77.63 (7)degrees. In the crystal, ribbons spread along the a axis are formed by N-H center dot center dot center dot O hydrogen bonds. C-H center dot center dot center dot pi interactions also occur.
Composition dependence of lattice parameters and band gap energies of thallium based layered mixed crystals
Hasanlı, Nızamı (2015-07-01)
Compositional dependence of lattice parameters and unit cell volumes of TlMeX2-type (Me = Ga or In and X = S or Se) layered mixed crystals with monoclinic structure has been studied by X-ray diffraction technique. It is revealed that the lattice parameters of TlGa1-xInxSe2, TlGa(S1-xSex)(2), TlGa1-xInxS2 and TlIn(Se1-xSx)(2) mixed crystals increase due to the substitution of gallium atoms by indium and sulfur atoms by selenium. Moreover, the absorption edges of these mixed crystals have been investigated th...
Effect of isomorphic atom substitution on the lattice parameters and the optical absorption edge of TIGaSe2-TllnSe2 mixed crystals
Hasanlı, Nızamı (2006-05-01)
The variation of lattice parameters of TlGaSe2-TlInSe 2 mixed crystals with composition have been investigated by using of X-ray diffraction technique. For the mixed crystals studied, a structural phase transition (monoclinic to tetragonal) due to atom substitution is observed when the sum of the tetrahedral covalent radii of the Ga(In) and the Se atoms in Ga(In)Se4 tetrahedra reaches a critical value of about 0.254 nm. From transmission and reflection measurements, the compositional dependence of the indir...
Ulku, D; Tahir, MN; Tanyeli, Cihangir; Demir, AS; DİKİCİ, E (1997-12-15)
The structure of the title compound, C8H12O2, which is a rearrangement product of the reaction of 6-hydroxy-4,4-dimethylcyclohex-2-en-1-one and 4-dimethylaminopyridine has been identified as 2-hydroxy-5,5-dimethylcyclohex-2-en-1-one, The C atom of the six-membered ring connected to the two methyl groups is 0.617(2)Angstrom out of the least-squares plane defined by the other C atoms of the rin. The unit cell consists of discrete molecules with intra-and intermolecular hydrogen bonds.
Theoretical investigation of hydroxytyrosol and its radicals
Erkoc, F; Keskin, N; Erkoç, Şakir (Elsevier BV, 2003-05-05)
The structural and electronic properties of hydroxytyrosol, its three radical isomers, and its three analogues hydroxytyrosol-dihydroxyl isomers have been investigated theoretically by performing semi-empirical self-consistent field molecular orbital theory calculations. The geometry of the systems have been optimized and the electronic properties have been calculated at the level of AMI method.
Citation Formats
K. V. Kudryavtsev, A. V. Churakov, and Ö. Doğan, “Bis[5-(4-bromophenyl)-4-(tert-butoxycarbonyl)pyrrolidine-2-carboxylato]copper(II) dihydrate,” Acta Crystallographica Section E Structure Reports Online, pp. m1623–m1623, 2011, Accessed: 00, 2020. [Online]. Available: