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1.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 2): o516-7, 2012 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-22347115

RESUMEN

In the title molecular salt, C(15)H(14)ClN(2)OS(+)·C(6)H(2)N(3)O(7) (-), protonation occurred on the double-bonded N atom. One of the nitro groups shows slight disorder over two orientations, with an occupancy ratio of 0.91:0.09. In the crystal, classical N-H⋯O hydrogen bonds, as well as C-H⋯O contacts connect the components into a three-dimensional network. The seven-membered ring adopts a boat-like conformation. The least-squares plane defined by its non-H atoms encloses an angle of 38.99 (6)° with the benzene ring bonded to it.

2.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 4): o1165-6, 2012 Apr 01.
Artículo en Inglés | MEDLINE | ID: mdl-22606110

RESUMEN

THE TITLE COMPOUND [SYSTEMATIC NAME: 4-diphenyl-methyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carb-oxy-4,6-dinitro-pheno-late], C(26)H(29)N(2) (+)·C(7)H(3)N(2)O(7) (-), is the dinitro-salicylate salt of a tertiary amine. Deprotonation of the carb-oxy-lic acid group occurred on the phenolic hy-droxy group. The diaza-cyclo-hexane ring adopts a chair conformation. Intra-molecular O-H⋯O and inter-molecular C-H⋯O and N-H⋯O hydrogen bonds are observed. The N-H⋯O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitro-salicylate ions together. Inter-molecular C-H⋯O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis.

3.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 11): o2945-6, 2011 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-22219974

RESUMEN

The title compound (also known as 9-hy-droxy-risperidone), C(23)H(27)FN(4)O(3), is a heterocyclic compound with manifold pharmacological properties. The hy-droxy group shows disorder over two positions, with site-occupancy factors of 0.856 (2) and 0.144 (2). The piperidine ring adopts a chair conformation, while the annulated ring bearing the hy-droxy group is present in a half-chair conformation. Classical O-H⋯O hydrogen bonds as well as C-H⋯N contacts connect the mol-ecules into undulating sheets lying perpendicular to the crystallographic b axis. The shortest centroid-centroid distance between two centers of gravity is 3.5867 (8) Šand is apparent between the benzoxazole moiety and the six-membered ring bearing the keto substituent.

4.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 10): o2587-8, 2011 Oct 01.
Artículo en Inglés | MEDLINE | ID: mdl-22064439

RESUMEN

The title compound {systematic name: 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium 2,4,6-tri-nitro-phenolate}, C(17)H(19)F(2)N(2) (+)·C(6)H(2)N(3)O(7) (-), is the picrate salt of a piperazine-supported amine bearing a benzhydryl substituent on one of its N atoms. During co-crystallisation, protonation took place on the N atom of the secondary amine functionality. The non-aromatic six-membered heterocycle adopts a chair conformation. In the crystal, N-H⋯O hydrogen bonds as well as C-H⋯O contacts connect the components into a three-dimensional network.

5.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 10): o2783-4, 2011 Oct 01.
Artículo en Inglés | MEDLINE | ID: mdl-22064768

RESUMEN

The asymmetric unit of the title salt, C(17)H(19)F(2)N(2) (+.)C(15)H(13)O(2) (-), derived from a 1,4-diaza-cyclo-hexane derivative and a carb-oxy-lic acid, contains two formula units. The cation is protonated at the secondary amine functionality. The six-membered heterocycles adopt chair conformations. The fluorophenyl rings in the two cations make dihedral angles of 77.21 (19) and 78.8 (2)° while the aromatic rings in the anions enclose angles of 69.5 (2) and 69.9 (2)°. In the crystal, classical N-H⋯O hydrogen bonds as well as C-H⋯F and C-H⋯O contacts connect the entities into layers parallel to ac.

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