Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?

Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow

“…(This complex provides the only solvate found thus far among the array of complexes). 26 In general their geometries are harmonious with those of the previously determined unsolvated bromide (ESI, Table S2(a)) and further discussion has been presented elsewhere, 26 where the nature of the solvation has been more extensively considered. Among the unsolvated [CpRu(CO) 2 X] (and including [CpOs (CO) 2 Cl]), (ESI, Table S2(a)), the only appreciable changes in distance are found in Ru-X where the differences are (r Br-Cl ) 0.12 5 A and (r (I-Br) ) 0.16 5 A, the former perhaps rather less than expected from the usual estimates of covalent radii.…”

“…Accordingly, although the relevant intramolecular data are recorded herein, the structure determinations and the relevant analysis have been recorded in the adjoining paper. 26 (a) The two complexes [CpM(CO) 2 Cl], M ¼ Ru, Os are isomorphous, but not isomorphous with their M ¼ Fe analogue, 20 space group P2 1 2 1 2 rather than the present P2 1 /c. None of these are isomorphous with the other structurally defined members of the [CpRu(CO) 2 X] array, namely [CpRu (CO) 2 X], X ¼ Br, 11 I, 13 which themselves are distinct P2 1 /c phases.…”

“…We have for some considerable time explored the chemistry associated with the Ru(CO) 2 (h-C 5 H 5 ) moiety because of the conformational flexibility it exhibits, allowing the isolation of many interesting complexes. [1][2][3][4][5][6][7][8][9][10] Despite this, there is a paucity of structural data on these 'baseline' complexes, rather sporadically accumulated as summarized in Table 1, [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26] and not lending itself to a systematic internal comparison. The present contribution goes some way towards remedying that situation by providing data which complete the Cp, Cp 0 /Cl, Br, I arrays for M ¼ Ru, supplying duplicates in the form of additional/new phases for some examples, and, as well, providing the Cp*/Cl entry, thereby completing the M/Cp*/Cl and [Cp x Ru(CO) 2 Cl] triads.…”

Supramolecular Assembly of Metal Complexes by (Aryl)I⋅⋅⋅d[PtII] Halogen Bonds

“…The molecular Hirshfelds urface [56][57][58][59] is ar egion in whichm olecules come into contact, and its analysis gives the possibility of additional insight into the nature of intermolecular interactions in the crystal state. The obtained Hirshfelds urface plots ( Contactss horter than AER vdW are given by dotted lines and thermal ellipsoids are shownat5 0% probability.…”

Synthesis of Long-Chain Alkanoyl Benzenes by an Aluminum(III) Chloride-Catalyzed Destannylative Acylation Reaction

“…Contacts that are shorter than the sum their van der Waals radii are shown in red intensities, while longer contacts are shown in blue intensities. 50,51 All molecules exhibit weak intramolecular hydrogen bonding interactions between the CO group and alkyl H atoms of a neighboring molecule, which manifest in the observed red intensities in the proximity of the CO groups. Furthermore, 2a shows intramolecular H bonding between the F atom and an aromatic H atom of another molecule, with two molecules aligned pairwise (Figure 3).…”