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1.
Acta Crystallogr E Crystallogr Commun ; 76(Pt 9): 1503-1507, 2020 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-32939308

RESUMO

The title compound, [Cu2(C5H7N2)(C4H10NO2)Cl2(C5H8N2)], is a pyrazolate amino-alcohol complex which contains two di-methyl-pyrazole mol-ecules in monodentate and bidentate-bridged coordination modes and a monodeproton-ated di-ethano-lamine mol-ecule. Both copper atoms are involved in the formation of non-planar five-membered chelate rings. One Cu atom is in a distorted tetra-hedral environment formed by the pyridine nitro-gen atom of the protonated di-methyl-pyrazole mol-ecule, the N atom of the deprotonated bridged di-methyl-pyrazole, the Cl atom and the bridged O atom of the monodeprotonated di-ethano-lamine. The second Cu atom has an inter-mediate environment between trigonal bipyramidal and square pyramidal, formed by the N atom of the deprotonated bridged di-methyl-pyrazole, the Cl atom and the N atom of the amino-alcohol, and two O atoms of the deprotonated and protonated OH groups. In the crystal, N-H⋯Cl hydrogen bonds link the molecules into anti-symmetric chains running along the a-axis direction. Adjacent chains are connected by O-H⋯O hydrogen bonds involving the hydroxyl group as donor.

2.
Acta Crystallogr E Crystallogr Commun ; 76(Pt 3): 328-331, 2020 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-32148870

RESUMO

The title compound represents the thallium(I) salt of a substituted 1,2,5-oxa-diazole, [Tl(C3H3N4O3)] n , with amino- and hydroxamate groups in the 4- and 3- positions of the oxa-diazole ring, respectively. In the crystal, the deprotonated hydroxamate group represents an inter-mediate between the keto/enol tautomers and forms a five-membered chelate ring with the thallium(I) cation. The coordination sphere of the cation is augmented to a distorted disphenoid by two monodentately binding O atoms from two adjacent anions, leading to the formation of zigzag chains extending parallel to the b axis. The cohesion within the chains is supported by π-π stacking [centroid-centroid distance = 3.746 (3) Å] and inter-molecular N-H⋯N hydrogen bonds.

3.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 12): 1857-1860, 2019 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-31871745

RESUMO

In the title compound, (2,2'-bi-pyridine-κ2 N,N')bis-(2-meth-oxy-ethyl xanthato-κS)zinc(II), [Zn(C4H7O2S2)2(C10H8N2)], the ZnII ion is coordinated to two N atoms of the 2,2'-bi-pyridine ligand and two S atoms from two 2-meth-oxy-ethyl xanthate ligands. The ZnII ion lies on a crystallographic twofold rotation axis and has distorted tetra-hedral coordination geometry. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming supramolecular chains propagating along the a-axis direction. Weak intra-molecular C-H⋯S hydrogen bonds are also observed. The inter-molecular contacts in the crystal were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are H⋯H (36.3%), followed by S⋯H/H⋯S (24.7%), C⋯H/H⋯C (15.1%), O⋯H/H⋯O (14.4%), N⋯H/H⋯N (4.1%) and C⋯C (2.9%).

4.
Acta Crystallogr E Crystallogr Commun ; 73(Pt 5): 795-797, 2017 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-28529801

RESUMO

The title compound, C10H8N2O2·H2O, consists of an N-hy-droxy-quinoline-2-carboxamide mol-ecule in the keto tautomeric form and a water mol-ecule connected through an O-H⋯O hydrogen bond. The N-hy-droxy-quinoline-2-carboxamide mol-ecule has a nearly planar structure [maximum deviation = 0.062 (1) Å] and only the hy-droxy H atom deviates significantly from the mol-ecule plane. In the crystal, π-π stacking between the aromatic rings [inter-centroid distance = 3.887 (1) Å] and inter-molecular O-H⋯O hydrogen bonds organize the crystal components into columns extending along the b-axis direction.

5.
Acta Crystallogr E Crystallogr Commun ; 73(Pt 1): 24-27, 2017 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-28083127

RESUMO

The title compound, [Na2(C6H5N2O2)2(C6H6N2O2)4], is a centrosymmetric coordination dimer based on the sodium(I) salt of N-hy-droxy-picolinamide. The mol-ecule has an {Na2O6(µ-O)2} core with two bridging carbonyl O atoms and two hydroxamate O atoms of two mono-deprotonated residues of N-hy-droxy-picolinamide, while two neutral N-hy-droxy-picolinamide mol-ecules are coordinated in a monodentate manner to each sodium ion via the carbonyl O atoms [the Na-O distances range from 2.3044 (2) to 2.3716 (2) Å]. The penta-coordinated sodium ion exhibits a distorted trigonal-pyramidal coordination polyhedron. In the crystal, the coordination dimers are linked into chains along the c axis via N-H⋯O and N-H⋯N hydrogen bonds; the chains are linked into a two-dimensional framework parallel to (100) via weak C-H⋯O and π-π stacking inter-actions.

6.
Acta Crystallogr E Crystallogr Commun ; 72(Pt 2): 117-9, 2016 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-26958367

RESUMO

The crystal structure of the title compound, C6H6N2O2·H2O, consists of N-hy-droxy-picolinamide and water mol-ecules connected through O-H⋯O and N-H⋯N hydrogen bonds. The O-H⋯O inter-actions and π-π stacking inter-actions between the pyridine rings [centroid-centroid distance = 3.427 (1) Å] organize the components into columns extending along the b axis and the N-H⋯N hydrogen bonds link these columns into a two-dimensional framework parallel to (100). The N-hy-droxy-picolinamide mol-ecule adopts a strongly flattened conformation and only the O-H group H atom deviates significantly from the mol-ecule best plane. The dihedral angle between the hydroxamic group and the pyridine ring is 5.6 (2)°. The conformation about the hydroxamic group C-N bond is Z and that about the C-C bond between the pyridine and hydroxamic groups is E.

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