Displaying publications 1 - 20 of 692 in total

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  1. Arman HD, Poplaukhin P, Tiekink ER
    PMID: 24426981 DOI: 10.1107/S1600536813021569
    The asymmetric unit of title salt co-crystal, [K(C9H11N2S2)(C12H24O6)], comprises a K(+) cation, an (-)S2CN(Et)py anion and a 18-crown-6 mol-ecule. Substantial delocalization of π-electron density is evident in the di-thio-carbamate anion, as indicated by the equivalent C-S bond lengths. The K(+) cation sits within an O6S2 donor set lying 0.7506 (6) Å out of the least-squares plane through the six O atoms (r.m.s. deviation = 0.1766 Å) of the 18-crown-6 mol-ecule with the two S atoms being on one side of this plane. Supra-molecular layers in the bc plane, sustained by C-H⋯O and C-H⋯π inter-actions, feature in the crystal packing.
  2. Keng TC, Lo KM, Ng SW
    PMID: 21580249 DOI: 10.1107/S1600536810005830
    The Sn atom in the title compound, [Sn(C(7)H(6)Cl)(3)(C(8)H(14)NO(2)S(2))], is coordinated by three chlorobenzyl ligands and one carboxylate O atom of the substituted acetate ligand in a distorted tetra-hedral environment. Three of the C atoms of the n-butyl group are disordered over two sites with equal occupancies.
  3. Ravoof TB, Omar SA, Mohamed Tahir MI, Crouse KA
    Acta Crystallogr Sect E Struct Rep Online, 2012 May 1;68(Pt 5):m534-5.
    PMID: 22590061 DOI: 10.1107/S1600536812013529
    The title compound, [Zn(C(15)H(14)N(3)S(2))(2)], contains two chemically equivalent Schiff base anions that are coordinated to the Zn(II) ion as tridentate N,N',S-chelating ligands, creating a distorted octa-hedral environment [the smallest angle being 75.40 (6)° and the widest angle being 162.87 (6)°], with the two S atoms in cis positions. The dihedral angle between the mean planes of the two coordinating ligands is 85.65 (5)°. Weak C-H⋯S hydrogen bonds are also observed.
  4. Omar SA, Ravoof TB, Mohamed Tahir MI, Crouse KA
    Acta Crystallogr Sect E Struct Rep Online, 2012 Mar 1;68(Pt 3):m316-7.
    PMID: 22412456 DOI: 10.1107/S1600536812006952
    The structure of the title compound, [Ni(C(15)H(14)N(3)S(2))(2)]·H(2)O, has one mol-ecule in the asymmetric unit, along with a solvent water mol-ecule. The two different Schiff base moieties coordinate to the central Ni(II) ion as tridentate N,N',S-chelating ligands, creating a six-coordinate distorted octa-hedral environment [the smallest angle being 77.43 (7)° and the widest angle being 169.99 (7)°]. The mean planes of the two ligands are nearly orthogonal to each other with an angle of 89.53 (6)°. The packing of the complex is supported by O-H⋯N and O-H⋯S hydrogen bonding between the solvent water mol-ecule and the uncoordinated N and S atoms of neighbouring ligands.
  5. Suleiman Gwaram N, Khaledi H, Mohd Ali H
    PMID: 21836914 DOI: 10.1107/S1600536811022057
    The asymmetric unit of the title compound, [Cu(NCS)(2)(C(11)H(17)N(3))], consists of two crystallographically independent mol-ecules. In each mol-ecule, the Cu(II) ion is five-coordinated in a distorted square-pyramidal geometry wherein the basal plane is defined by the N,N',N"-tridentate Schiff base and one N-bound thio-cyanate ligand. The second N-donor thio-cyanate group, located at the apical site, completes the coordination environment. In the crystal, inter-molecular C-H⋯S and C-H⋯N hydrogen bonds link adjacent mol-ecules into infinite layers parallel to the ac plane. Intra-molecular C-H⋯N inter-actions are also observed.
  6. Lee SM, Lo KM, Ali HM, Ng SW
    PMID: 21583331 DOI: 10.1107/S160053680902457X
    The Sn(IV) atom in the title compound, [Sn(C(4)H(9))(2)(C(19)H(13)BrN(2)O(3))], shows a distorted cis-C(2)NO(2)Sn trigonal-bipyramidal coordination. Both butyl chains and the naphth-yl-oxy portion are disordered over two sets of sites of equal occupancy.
  7. Ali A, Abdullah N, Maah MJ, Lo KM
    PMID: 21580544 DOI: 10.1107/S1600536810010949
    In the title complex, [Ni(C(20)H(10)Br(2)Cl(2)N(2)O(2))], the Ni(II) ion is coordinated by two phen-oxy O atoms and two imino N atoms of the tetradentate ligand, forming a slightly distorted square-planar environment. The mol-ecule is essentially planar, with an r.m.s. deviation of 0.088 Å for the mean plane defined by all non-H atoms in the mol-ecule.
  8. Fun HK, Kia R
    PMID: 21203060 DOI: 10.1107/S1600536808023362
    In the title complex, [Ni(C(20)H(22)N(2)O(4))]·0.5H(2)O, the Ni(II) ion is in a slightly distorted square-planar geometry involving an N(2)O(2) atom set of the tetra-dentate Schiff base ligand. The asymmetric unit contains one mol-ecule of the complex and half a water solvent mol-ecule. The solvent water mol-ecule lies on a crystallographic twofold rotation axis. An inter-molecular O-H⋯O hydrogen bond forms an R(2) (1)(4) ring motif involving a bifurcated hydrogen bond to the phenolate O atoms of the complex. In the crystal structure, mol-ecules are linked by π-π stacking inter-actions, with centroid-centroid distances in the range 3.5310 (11)-3.7905 (12) Å, forming extended chains along the b axis. In addition, there are Ni⋯Ni and Ni⋯N inter-actions [3.4404 (4)-4.1588 (4) and 3.383 (2)-3.756 (2) Å, respectively] which are shorter than the sum of the van der Waals radii of the relevant atoms. Further stabilization of the crystal structure is attained by weak inter-molecular C-H⋯O and C-H⋯π inter-actions.
  9. Fun HK, Kia R
    PMID: 21201579 DOI: 10.1107/S1600536808024306
    In the title compound, [Ni(C(22)H(26)N(2)O(2))]·CH(3)OH·CHCl(3), the Ni(II) ion is in a slightly distorted square-planar geometry involving an N(2)O(2) atom set of the tetra-dentate Schiff base ligand. The asymmetric unit contains one mol-ecule of the complex and one mol-ecule each of chloro-form and methanol. The methanol mol-ecule is hydrogen bonded to the phenolate O atoms. In the crystal structure, short inter-molecular distances between the centroids of six-membered chelate rings [3.7002 (9) Å] indicate the presence of π-π inter-actions, which link the mol-ecules into stacks along the a axis. In addition, there are Ni⋯Ni distances which are shorter than the sum of the van der Waals radii of two Ni atoms. The crystal structure is further stabilized by inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, and weak inter-molecular C-H⋯π inter-actions linking mol-ecules into extended one-dimensional chains along the c axis.
  10. Shawish HB, Tan KW, Maah MJ, Ng SW
    PMID: 21588494 DOI: 10.1107/S1600536810031065
    The deprotonated Schiff base ligand in the title compound, [Ni(C(8)H(8)N(3)O(2)S)(C(18)H(15)P)]Cl, functions as an N,O,S-chelating anion to the phosphine-coordinated Ni atom, which exists in a distorted square-planar geometry. The hy-droxy group forms an intra-molecular O-H⋯O hydrogen bond. The two amino groups of the cation are hydrogen-bond donors to the chloride anion; the hydrogen bonds generate a chain structure running along the b axis.
  11. Suleiman Gwaram N, Ikmal Hisham NA, Khaledi H, Mohd Ali H
    PMID: 21522819 DOI: 10.1107/S1600536810053778
    The asymmetric unit of the title compound, [Zn(NCS)(2)(C(13)H(19)N(3)O)], contains two crystallographically independent mol-ecules. In each mol-ecule, the Zn(II) ion is five-coordinated by the N,N',N"-tridentate Schiff base and the N atoms of two thio-cyanate ligands in a distorted square-pyramidal geometry. The two mol-ecules differ mainly in the deviations from the ideal geometry, with τ values of 0.14 and 0.33. In the crystal, inter-molecular C-H⋯S hydrogen bonds are observed. An intra-molecular C-H⋯N hydrogen bond occurs in one of the independent mol-ecules.
  12. Suleiman Gwaram N, Ikmal Hisham NA, Khaledi H, Mohd Ali H
    PMID: 21522576 DOI: 10.1107/S1600536810050889
    In the title compound, [Cu(NCS)(2)(C(13)H(19)N(3)O)], the Cu(II) ion is five-coordinated by the N,N',N''-tridentate Schiff base and the N atoms of two isothio-cyanate ligands in a square-pyramidal geometry. In the crystal, C-H⋯N, C-H⋯O and C-H⋯S inter-actions link adjacent mol-ecules into layers parallel to the ac plane. A weak inter-molecular π-π inter-action occurs between the aromatic rings with a centroid-centroid distance of 3.9412 (9) Å.
  13. Lo KM, Ng SW
    PMID: 21583391 DOI: 10.1107/S1600536809027408
    The Pd(II) atom in the title compound, [PdBr(2){P(C(6)H(5))(3)}(2)]·CHCl(3), lies on a twofold rotation axis and is coordinated in a distorted square-planar geometry by two P atoms from two triphenyl-phosphine ligands and by two Br atoms in a trans arrangement. The chloro-form solvent mol-ecule is equally disordered about another twofold rotation axis.
  14. Karimnejad K, Khaledi H, Mohd Ali H
    PMID: 21753950 DOI: 10.1107/S1600536811008166
    In the title compound, [Zn(C(6)H(14)N(2))(2)(H(2)O)(2)]Cl(2), the Zn(II) atom resides on a special position with site symmetry 2/m and is octa-hedrally coordinated by four N atoms from two trans 1,2-diamino-cyclo-hexane ligands and two water O atoms. In the crystal, N-H⋯Cl and O-H⋯Cl hydrogen bonds link the mol-ecules into a two-dimensional network parallel to the bc plane.
  15. Rizal MR, Ali HM, Ng SW
    PMID: 21202507 DOI: 10.1107/S1600536808014293
    The Ni atom in the centrosymmetric title compound, [Ni(C(10)H(9)N(4)S)(2)], is N,S-chelated by the deprotonated Schiff bases in a square-planar geometry. The -CH=N-N=C(S)-NH(2) frament is planar. Adjacent mol-ecules are linked by hydrogen bonds between the indolyl -NH (donor) site and the double-bond =N- (acceptor) site of an adjacent mol-ecule, forming a layer motif.
  16. Al-Mohammed NN, Alias Y, Abdullah Z, Khaledi H
    PMID: 22347056 DOI: 10.1107/S1600536812001067
    In the title compound, C(9)H(14)N(2)O(2), the imidazole ring and the acetate O-C=O plane make a dihedral angle of 80.54 (12)°. In the crystal, mol-ecules are connected via pairs of C-H⋯O hydrogen bonds, forming centrosymmetric dimers.
  17. N Al-Mohammed N, Alias Y, Abdullah Z, Khaledi H
    PMID: 22412488 DOI: 10.1107/S1600536812002814
    In the title compound, C(13)H(16)N(2)O(2), the planes of the benzimidazole ring system and the acetate O-C=O fragment make a dihedral angle of 84.5 (3)°. In the crystal, mol-ecules are connected through C-H⋯N hydrogen bonds to form infinite chains in the [-110] direction.
  18. Affan MA, Salam MA, Asaruddin MR, Ng SW, Tiekink ER
    Acta Crystallogr Sect E Struct Rep Online, 2012 Jul 1;68(Pt 7):m909-10.
    PMID: 22807748 DOI: 10.1107/S1600536812025937
    Two independent mol-ecules comprise the asymmetric unit in the title compound, [Sn(C₄H₉)(C₁₄H₁₉N₄S)Cl₂]. In each mol-ecule, the Sn(IV) atom exists within a distorted octa-hedral geometry defined by the N,N',S-tridentate mono-deprotonated Schiff base ligand, two mutually trans Cl atoms, and the α-C atom of the n-butyl group; the latter is trans to the azo-N atom. The greatest distortion from the ideal geometry is found in the nominally trans angle formed by the S and pyridyl-N atoms at Sn [151.72 (7) and 152.04 (7)°, respectively]. In the crystal, mol-ecules are consolidated into a three-dimensional architecture by a combination of N-H⋯Cl, C-H⋯π and π-π inter-actions [inter-centroid distances = 3.6718 (19) and 3.675 (2) Å].
  19. Kia R, Fun HK
    PMID: 21581793 DOI: 10.1107/S1600536809001044
    In the title compound, [ReBr(C(16)H(12)Cl(2)F(2)N(2))(CO)(3)], the Re atom is in a slightly distorted octa-hedral coordination environment with the three carbonyl ligands having a fac configuration. The diimine ligand is equatorial and is bonded to the Re centre in an N,N'-bidentate chelating fashion, with a bite angle of 77.7 (2)°. The dihedral angle between the two benzene rings is 88.7 (6)°. In the crystal structure, there are F⋯O [2.856 (9) Å], Cl⋯C [3.150 (8) Å] and O⋯C [2.984 (10) Å] contacts which are shorter than the sum of the van der Waals radii for these atoms. In addition, symmetry-related mol-ecules are linked via inter-molecular C-H⋯O, C-H⋯Br and the F⋯O inter-actions into one-dimensional chains extending along the a axis. The crystal structure is further stabilized by inter-molecular π-π inter-actions [centroid-centroid distance = 3.571 (5) Å].
  20. Kia R, Fun HK
    PMID: 21201050 DOI: 10.1107/S1600536808029966
    In the title compound, [Re(CF(3)COO)(CH(3)CN)(2)(CO)(3)], the Re atom has a distorted octa-hedral configuration. The two acetonitrile mol-ecules and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the trifluoroacetato ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re atom. The CF(3) segment of the trifluoroacetato ligand shows rotational disorder and the refined site-occupancy factors of the disordered parts are ca 0.5/0.5. The crystal structure is stabilized by C-H⋯O and C-H⋯F hydrogen bonds.
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