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1.
IUCrdata ; 9(Pt 3): x240235, 2024 Mar.
Article in English | MEDLINE | ID: mdl-38586527

ABSTRACT

The title compound, C16H12FN3OS, a fluorinated di-thio-carbazate imine derivative, was synthesized by the one-pot, multi-component condensation reaction of hydrazine hydrate, carbon di-sulfide, 4-fluoro-benzyl chloride and isatin. The compound demonstrates near-planarity across much of the mol-ecule in the solid state and a Z configuration for the azomethine C=N bond. The Z form is further stabilized by the presence of an intra-molecular N-H⋯O hydrogen bond. In the extended structure, mol-ecules are linked into dimers by N-H⋯O hydrogen bonds and further connected into chains along either [20] or [100] by weak C-H⋯S and C-H⋯F hydrogen bonds, which further link into corrugated sheets and in combination form the overall three-dimensional network.

2.
IUCrdata ; 8(Pt 9): x230782, 2023 Sep.
Article in English | MEDLINE | ID: mdl-37818467

ABSTRACT

The title compound, C17H15N3OS2 was obtained from the condensation reaction of S-benzyl-dithio-carbazate and 5-methyl-isatin. In the solid-state, the mol-ecule adopts a Z configuration with the 5-methyl-isatin and di-thio-carbazate groups located on the same side of the C=N bond, involving an intra-molecular N-H⋯O hydrogen bond.

3.
IUCrdata ; 8(Pt 8): x230623, 2023 Aug.
Article in English | MEDLINE | ID: mdl-37693783

ABSTRACT

The title compound, C6H8N2O4, a new derivative of isoxazole, has been synthesized and structurally characterized. The crystal structure shows the mol-ecule to be almost planar (r.m.s. deviation for the non-hydrogen atoms = 0.029 Å), this conformation being supported by an intra-molecular N-H⋯O hydrogen bond. In the extended structure, the mol-ecules are linked by N-H⋯O hydrogen bonds into chains propagating along [010].

4.
IUCrdata ; 8(Pt 4): x230300, 2023 Apr.
Article in English | MEDLINE | ID: mdl-37151204

ABSTRACT

A new isoxazole-based iodo-noium salt, C13H13INO5 +·C2F3O2 -, has been synthesized and structurally characterized. In the crystal, ions are linked by short I⋯O contacts to form a neutral tetra-ion aggregate. These combine with C-H⋯F and C-H⋯O inter-actions to form double-layered two-dimensional sheets in the (001) plane.

5.
IUCrdata ; 8(Pt 2): x230075, 2023 Feb.
Article in English | MEDLINE | ID: mdl-36911075

ABSTRACT

The asymmetric unit of the title compound, C9H15NO4, consists of a functionalized pyrrolidine ring having an envelope conformation, synthesized as an ethyl ester. The mol-ecule has three chiral centres and crystallized as a racemic mixture. In the crystal, mol-ecules are linked by pairwise O-H⋯O bonds, generating dimers with twofold rotational symmetry.

6.
Chemistry ; 23(45): 10848-10852, 2017 Aug 10.
Article in English | MEDLINE | ID: mdl-28598039

ABSTRACT

Halogenated analogues of the neurotoxic alkaloid muscimol were prepared with fluorine, iodine or trifluoromethyl at the 4 position of the isoxazole ring system. These compounds were investigated as agonists for GABAA receptors. Only the C-4 fluorine-containing analogue proved to be an active compound in these assays. The fluoro analogue was less active than muscimol, however it showed differential activity between synaptic (α1 ß2 γ2 ) and extrasynaptic (α4 ß2 γ) GABAA receptors, having a similar potency to the neurotransmitter GABA for the extrasynaptic (α4 ß2 γ) receptor.


Subject(s)
Fluorine/chemistry , GABA Agonists/chemistry , Muscimol/chemistry , Animals , Crystallography, X-Ray , GABA Agonists/chemical synthesis , GABA Agonists/metabolism , Molecular Conformation , Muscimol/chemical synthesis , Muscimol/metabolism , Oocytes/metabolism , Receptors, GABA-A/genetics , Receptors, GABA-A/metabolism , Xenopus laevis/growth & development , Xenopus laevis/metabolism
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