3-(4-Chloro-benzene-sulfonamido)-5-methyl-cyclo-hex-2-en-1-one.

For the title compound, C(13)H(14)ClNO(3)S, geometrical parameters, determined using X-ray diffraction techniques, are compared with those calculated by density functional theory (DFT), using hybrid exchange-correlation functional, B3LYP methods. The dihedral angle between the benzene ring and the conjugated part of the cyclo-hexene ring is 87.47 (5)°. The cyclo-hexene ring and its substituents are disordered over two conformations, with occupancies of 0.786 (3) and 0.214 (3). In the crystal, mol-ecules are linked into chains in the c-axis direction by inter-molecular N-H⋯O(C=O) hydrogen bonds. C-H⋯O inter-actions are also observed.

Dibromido(4,7-diazadecane-1,10-di-amine)-copper(II).

In the title compound, [CuBr(2)(C(8)H(22)N(4))], the Cu(II) atom is six-coordinate forming a distorted octa-hedral complex and is bonded to two axial bromide anions and four equatorial nitro-gen donors. The equatorial Cu-N bond distances range from 2.005 (8) to 2.046 (8) Šwhile the axial Cu-Br distances are 2.8616 (17) and 2.9402 (17) Å, thus the six-coordinate Cu complex shows the usual Jahn-Teller distortion. All amine hydrogen atoms participate in either inter- or intra-molecular hydrogen bonding to the Br anions.

Di-µ(2)-acetato-diacetato-bis-{µ(2)-3,3',5,5'-tetra-meth-oxy-2,2-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}tricobalt(II,III) dichloro-methane disolvate.

The trinuclear title compound, [Co(3)(CH(3)COO)(4)(C(20)H(22)N(2)O(6))(2)]·2CH(2)Cl(2), contains mixed-valence cobalt ions in the following order Co(III)-Co(II)-Co(III) where all the three cobalt ions are hexa-coordinated. The central cobalt ion is situated on an inversion centre and is in an all-oxygen environment, coordinated by four phenolate O atoms and two O atoms from bridging acetate groups, while the terminal cobalt ion is hexa-coordinated by two phenolate O atoms, two acetate O atoms and two imine N atoms. This complex contains a high-spin central Co(II) and two terminal low-spin Co(III)i.e. Co(III)(S = 0)-Co(II)(S = 3/2)-Co(III)(S = 0). There are weak inter-molecular C-H⋯O inter-actions involving the meth-oxy groups, as well as inter-molecular C-H⋯O inter-actions involving the acetate anions. In addition, the dichoromethane solvate mol-ecules are held in place by weak C-H⋯Cl inter-actions.

{3,3',5,5'-Tetra-meth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II).

The title square-planar nickel complex, [Ni(C(20)H(22)N(2)O(6))], has Ni-N and Ni-O bond lengths of 1.8448 (14)/1.8478 (14) and 1.8536 (12)/1.8520 (12) Å. There is a slight twist in the two benzene rings at each end of the complex [dihedral angle = 11.11 (5)°]. All the atoms of the meth-oxy substitutents are in the plane of the ring to which they are attached except for one which deviates slightly [0.365 (3) Å]. In the crystal, weak C-H⋯O inter-molecular inter-actions connect the mol-ecules.

catena-Poly[[[{5,5'-dimeth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}manganese(III)]-µ-acetato] methanol monosolvate].

The title Mn(III) compound, {[Mn(C(18)H(18)N(2)O(4))(CH(3)COO)]·CH(3)OH}(n), was synthesized by a reaction between mangan-ese(II) acetate and ethyl-enebis(4-meth-oxy-salicylaldimine). The structure is made up of bis-(4-meth-oxy-salicyldene)ethyl-enediaminatomanganese(III) units bridged by acetate groups, with Mn-N = 1.9786 (9), Mn-O = 1.8784 (10) and Mn-O(acetate) = 2.056 (9) and 2.2571 (9) Å, forming a one dimensional polymer (-Mn-acetate-Mn-acetate-) along [100]. The Mn(III) atom is in a Jahn-Teller-distorted octa-hedral environment with cis angles ranging from 81.87 (4) to 96.53 (4)° and trans angles ranging from 166.11 (3) to 173.93 (3)°. The methanol solvent mol-ecule is hydrogen bonded to the phenolate O atom. In addition to this classical hydrogen bond, there are weak C-H⋯O inter-actions. The structure was determined from a crystal twinned by pseudo-merohedry.

[2-({3-[(3-Amino-prop-yl)amino]-prop-yl}imino-meth-yl)phenolato-κO,N,N'',N''']bromidocopper(II).

In the title compound, [Cu(C(13)H(20)N(3)O)Br], the Cu(II) atom is coordinated by three N atoms and one O atom from the deprotonated ligand derived from the Schiff base condensation of 3,3-imino-bis-(propyl-amine) and salicyl-aldehyde. The three N and the O atoms occupy equatorial positions, while the Br atom occupies an axial position. The amine H atoms form inter-molecular hydrogen bonds with the Br and O atoms of adjoining mol-ecules.

Bis[µ-2-(2-pyridylmethyl-amino-meth-yl)phenolato]-κN,N',O:O;κO:N,N',O-bis-[(thio-cyanato-κN)copper(II)].

The centrosymmetric binuclear complex, [Cu(2)(C(13)H(13)N(2)O)(2)(NCS)(2)], formed via phenolate oxygen bridges, involves the Cu(II) atoms in a distorted square-pyramidal coordination [τ = 0.197 (1)]. A Cu⋯Cu separation of 3.2281 (3) Šis observed. The in-plane Cu-O(phenolate) distance [1.9342 (8) Å] is shorter than the axial distance [2.252 (8) Å]. The Cu-N(amine) and Cu-N(py) distances are similar [2.0095 (10) and 2.0192 (10) Å, respectively]. The Cu-N(thio-cyanate) distance [1.9678 (11) Å] is in the range found for Cu-N distances in previously determined structures containing coordinated thio-cyanate anions. There is an inter-molecular hydrogen bond between the amine H atom and the S atom of a coordinated thio-cyanate anion.

Di-µ-perchlorato-bis-{µ-2-[(2-pyrid-yl)methyl-amino-meth-yl]phenolato)dicopper(II) acetonitrile disolvate.

In the crystal of the dinuclear title compound, [Cu(2)(C(13)H(13)N(2)O)(2)(ClO(4))(2)]·2CH(3)CN, the two bridging perchlorate ions chelate to the two Cu(II) atoms in a µ-O:O' fashion on opposite sides of the equatorial plane. The Cu(II) ions display a distorted octa-hedral coordination geometry (in the usual 4 + 2 Jahn-Teller arrangement), each being coordinated by two O atoms from the two perchlorate ligands, and two N and O atoms from the reduced Schiff base ligand. The asymmetric unit contains two acetonitrile solvent mol-ecules. In the crystal structure, in addition to N-H⋯O hydrogen bonds, there are weak C-H⋯O inter-actions between the perchlorate O atoms and the reduced Schiff base ligand. C-H⋯N inter-actions are also present.