RESUMO
The reaction between [TBA]2[Zn(dmit)2] and 3-chloro-2,4-penta-nedione yielded single crystals of the title compound, (3E,3'E)-3,3'-[(2-sulfanylidene-1,3-dithiole-4,5-diyl)bis(sulfanediyl)]bis(4-hydroxypent-3-en-2-one), C13H14O4S5, after solvent evaporation. The title compound crystallizes in the triclinic space group P with two mol-ecules related by an inversion center present in the unit cell. The central thione ring moiety contains a carbon-carbon double bond covalently linked to two sulfoxide substituents located outside of the plane of the ring. The S-C-C-S torsion angles are -176.18â (8) and -0.54â (18)°. Intra-molecular hydrogen bonds occur within the two dione substituents (1.67-1.69â Å). Adjacent asymmetric units are linked by C-Hâ¯S (2.89-2.90â Å), Sâ¯S [3.569â (1)â Å] and Oâ¯H [2.56-2.66â Å between non-stacked thione rings] short contacts.
RESUMO
The title ferrocene derivative, [Fe(C5H5)2(C8NO2)], including an alkyne bonded to a para-nitro-phenyl substituent, which was synthesized from a copper-free Sonogashira cross-coupling reaction between ethynylferrocene and 4-bromo-1-nitro-benzene, crystallizes in the P21/n space group. In the ferrocene unit, the penta-dienyl (Cps) rings are in an eclipsed conformation. The angle of rotation between the substituted cyclo-penta-dienyl ring and the p-nitro-phenyl group is 6.19â (10)°, yielding a quasi-linear extension of the ferrocenyl substitution. Important inter-molecular inter-actions arise from π-π stacking between the Cp rings and the p-nitro-phenyl, from corners of the Cp rings that are perpendicularly aligned, and between the O atoms from the nitro substituent and carbons at the corners of the Cp rings, propagating along all three crystallographic axes.
RESUMO
The title compound, C7H3F5INS, a penta-fluoro-sulfanyl (SF5) containing arene, was synthesized from 4-(penta-fluoro-sulfan-yl)benzo-nitrile and lithium tetra-methyl-piperidide following a variation to the standard approach, which features simple and mild conditions that allow direct access to tri-substituted SF5 inter-mediates that have not been demonstrated using previous methods. The mol-ecule displays a planar geometry with the benzene ring in the same plane as its three substituents. It lies on a mirror plane perpendicular to [010] with the iodo, cyano, and the sulfur and axial fluorine atoms of the penta-fluoro-sulfanyl substituent in the plane of the mol-ecule. The equatorial F atoms have symmetry-related counterparts generated by the mirror plane. The penta-fluoro-sulfanyl group exhibits a staggered fashion relative to the ring and the two hydrogen atoms ortho to the substituent. S-F bond lengths of the penta-fluoro-sulfanyl group are unequal: the equatorial bond facing the iodo moiety has a longer distance [1.572â (3)â Å] and wider angle compared to that facing the side of the mol-ecules with two hydrogen atoms [1.561â (4)â Å]. As expected, the axial S-F bond is the longest [1.582â (5)â Å]. In the crystal, in-plane C-Hâ¯F and Nâ¯I inter-actions as well as out-of-plane Fâ¯C inter-actions are observed. According to the Hirshfeld analysis, the principal inter-molecular contacts for the title compound are Fâ¯H (29.4%), Fâ¯I (15.8%), Fâ¯N (11.4%), Fâ¯F (6.0%), Nâ¯I (5.6%) and Fâ¯C (4.5%).