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1.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 7): o798, 2014 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-25161579

RESUMO

In the crystal structure of the title compound, C22H13Br2N3, the two bromo-phenyl rings are rotated out of the plane of the central benzyl-idene ring by 68.7 (1) and 69.3 (1)°. Both cyano substituents are located nearly in the plane of the benzylidene ring, with the mean plane of the methylmalononitrile group being inclined to this ring by 5.8 (1)°. In the crystal, the mol-ecules are linked by weak C-H⋯N hydrogen bonds into layers parallel to the bc plane.

2.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 9): m1181, 2011 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-22064793

RESUMO

The asymmetric unit of the title compound, [Ni(HCO(2))(2)(C(14)H(12)N(2))(H(2)O)]·H(2)O, contains a mononuclear complex mol-ecule hydrogen bonded to a lattice water mol-ecule. The Ni(II) atom exhibits a distorted octa-hedral coordination geometry formed by the N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand, two O atoms of a chelating formate anion, one aqua O atom and one O atom of a coordinating formate anion. The mol-ecules are assembled into chains extending along [100] through by O-H⋯O hydrogen bonds. The supra-molecular chains are further linked into layers parallel to (011) by weak π-π packing inter-actions [centroid-centroid separation = 3.768 (2) Å]. The resulting layers are stacked to meet the requirement of close-packing patterns.

3.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 8): m1123-4, 2011 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-22090889

RESUMO

The structure of the title compound, [Cu(C(8)H(7)O(2))(2)(C(3)H(4)N(2))(2)(C(8)H(8)O(2))(2)], consists of centrosymmetric monomeric units, in which the Cu(II) atom has a tetra-gonally distorted octa-hedral coordination involving two imidazole N atoms and two carboxyl-ate O atoms in the square plane [Cu-N = 1.964 (3) and Cu-O = 1.960 (2) Å] and 2-methyl-benzoic acid O atoms in axial sites [Cu-O = 2.753 (3) Å]. Within the complex, the carb-oxy-lic acid forms intra-molecular O-H⋯O hydrogen bonds, while the mol-ecules are assembled through N-H⋯O(carbox-yl) hydrogen bonds into chains extending along the a-axis direction. These chains are further linked by weak π-π inter-actions [centroid-centroid separation = 3.930 (2) Å].

4.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 6): m779, 2011 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-21754662

RESUMO

In the title compound, [Cu(C(8)H(7)O(2))(2)(C(12)H(8)N(2))], the Cu(II) atom assumes a distorted octa-hedral coordination geometry, chelated by two N atoms from the 1,10'-phenanthroline ligand and four O atoms from two 2-methyl-benzoate anions. A significant Jahn-Teller distortion is observed with two axial Cu-O distances significantly longer than those in the equatorial CuO(2)N(2) plane. In the crystal, π-π stacking inter-actions, with centroid-centroid distances of 3.547 (3) or 3.728 (3) Šbetween the phenanthroline rings, form layers parallel to (011).

5.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 11): m1565, 2011 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-22219803

RESUMO

In the title dinuclear complex, [Cu(2)(C(8)H(7)O(2))(4)(C(2)H(5)OH)(2)], four 2-methyl-benzoato anions form a cage around two Cu(II) ions in a syn-anti configuration. Two ethanol mol-ecules coordinate the Cu atoms in apical positions, giving an overall square-pyramidal coordination geometry. The Cu⋯Cu separation is 2.600 (1) Å. In the crystal, mol-ecules are assembled into chains extending in [001] through O-H⋯O hydrogen bonds.

6.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 11): o2977-8, 2011 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-22219999

RESUMO

The title compound, C(18)H(22)O(6), was obtained by the domino oxa-Michael-aldol (DOMA) reaction and has the cyclo-hexa-none ring in a chair conformation with intra-annular torsion angles in the range 49.9 (2)-58.9 (2)°. The two eth-oxy-carbonyl substituents on the cyclo-hexa-none ring adopt a syn configurations. In the crystal, the mol-ecules self-assemble through duplex inter-molecular hy-droxy-carbonyl O-H⋯O hydrogen bonds, giving centrosymmetric cyclic dimers [graph set R(2) (2)(12)] which inter-associate through weak C-H⋯O hydrogen-bonding inter-actions.

7.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 1): m39-40, 2010 Dec 04.
Artigo em Inglês | MEDLINE | ID: mdl-21522561

RESUMO

The asymmetric unit of the title compound, [Co(HCO(2))(2)(C(14)H(12)N(2))(H(2)O)]·H(2)O, contains a mononuclear complex mol-ecule hydrogen bonded to a lattice water mol-ecule. The Co(II) cation is in a distorted octa-hedral coordination environment defined by the two N atoms of the 2,9-dimethyl-1,10-phenanthroline ligand and four O atoms. Two of these are from a chelating formate anion, one from a monodentate formate and the last from an aqua ligand. In the crystal, mol-ecules are connected by O-H⋯O hydrogen bonds, forming double chains along [100] with the 2,9-dimethyl-1,10-phenanthroline ligands pointing outwards from each chain. These chains are further linked into layers parallel to (011) by inter-chain π-π stacking inter-actions with centroid-centroid distances of 3.61 (1) Å.

8.
Arzneimittelforschung ; 56(10): 673-7, 2006.
Artigo em Inglês | MEDLINE | ID: mdl-17225561

RESUMO

Ten aripirazole (CAS 129722-12-9) derivatives were prepared and examined for dopamine receptor antagonist activity. The structures of these newly synthesized compounds were confirmed by their elemental analyses and by IR, 1H-NMR and mass spectra. It was demonstrated that all the new compounds have dopamine receptor antagonist activity to a certain extent. Three compounds showed more potent activity than aripiprazole.


Assuntos
Antipsicóticos/síntese química , Antipsicóticos/farmacologia , Piperazinas/síntese química , Piperazinas/farmacologia , Quinolonas/síntese química , Quinolonas/farmacologia , Animais , Apomorfina/antagonistas & inibidores , Apomorfina/farmacologia , Aripiprazol , Agonistas de Dopamina/farmacologia , Antagonistas de Dopamina/farmacologia , Feminino , Indicadores e Reagentes , Espectroscopia de Ressonância Magnética , Masculino , Espectrometria de Massas , Camundongos , Camundongos Endogâmicos ICR , Receptores Dopaminérgicos/efeitos dos fármacos , Caracteres Sexuais , Espectrofotometria Infravermelho , Comportamento Estereotipado/efeitos dos fármacos
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