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1.
Acta Crystallogr E Crystallogr Commun ; 80(Pt 6): 582-585, 2024 May 01.
Artículo en Inglés | MEDLINE | ID: mdl-38845715

RESUMEN

In the title compound, C6H4BrF3N4O2, the oxa-diazole ring is essentially planar with a maximum deviation of 0.003 (2) Å. In the crystal, mol-ecular pairs are connected by N-H⋯N hydrogen bonds, forming dimers with an R 2 2(8) motif. The dimers are linked into layers parallel to the (10) plane by N-H⋯O hydrogen bonds. In addition, C-O⋯π and C-Br⋯π inter-actions connect the mol-ecules, forming a three-dimensional network. The F atoms of the tri-fluoro-methyl group are disordered over two sites in a 0.515 (6): 0.485 (6) ratio. The inter-molecular inter-actions in the crystal structure were investigated and qu-anti-fied using Hirshfeld surface analysis.

2.
Molecules ; 28(22)2023 Nov 19.
Artículo en Inglés | MEDLINE | ID: mdl-38005383

RESUMEN

A simple and highly effective methodology for the cross-coupling of heteroaryl iodides with NN-AuPPh3 at room temperature is reported. The protocol is based on a novel catalytic system consisting of Pd2(dba)3·CHCl3 and the phosphine ligand MeCgPPh having an adamantane-like framework. The present protocol was found to be well compatible with various heteroaryl iodides, thus opening new horizons in directed synthesis of functionalized nitronyl nitroxides and high-spin molecules.

3.
Acta Crystallogr E Crystallogr Commun ; 78(Pt 1): 12-17, 2022 Jan 01.
Artículo en Inglés | MEDLINE | ID: mdl-35079415

RESUMEN

The bicyclic imidazo[1,2-a]pyridine core in the mol-ecule of the title compound, C10H7F3N2O, is planar within 0.004 (1) Å. In the crystal, the mol-ecules are linked by pairs of C-H⋯N and C-H⋯O hydrogen bonds, forming strips. These strips are connected by the F⋯F contacts into layers, which are further joined by π-π stacking inter-actions. The Hirshfeld surface analysis and fingerprint plots reveal that mol-ecular packing is governed by F⋯H/H⋯F (31.6%), H⋯H (16.8%), C⋯H/H⋯C (13.8%) and O⋯H/H⋯O (8.5%) contacts.

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