Crystal Structure of the 1:1 Complex between Mesitylene and Hexafluorobenzene.

Dahl, Tor; Gropen, Odd; Wilhelmi, Karl-Axel; Lindberg, Annelie; Lagerlund, Inger; Ehrenberg, L.

doi:10.3891/acta.chem.scand.25-1031

Cited by 48 publications

(22 citation statements)

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“…The best estimate leads to a molecular pairing with a separation of 3.52 A, with dimers separated by 3.71 A. Such a pairing is more likely to be stable in the lower phases, and would be consistent with the work of Dahl (1971Dahl ( , 1972Dahl ( , 1973 where forces stronger than van der Waals have been shown to exist in some HFB complexes.…”

Section: Discussionsupporting

confidence: 69%

“…Spectroscopic measurements by Beaumont & David (1967) and dipole measurements by Bauer, Knobler, Horsma & Perez (1970) of complexes containing HFB do not show any evidence of charge transfer between the different species of molecules as was first assumed by Patrick & Prosser (1960). This led to the X-ray diffraction studies of Dahl (1971Dahl ( , 1972Dahl ( , 1973, performed to gain information concerning the intermolecular forces present in the two complexes HFB-mesitylene and HFB-fiexamethylbenzene. Dahl concludes that the possibility of forces stronger than the van der Waals type should not be ignored in these systems.…”

Section: Introductionmentioning

confidence: 93%

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An X-ray single-crystal study of the molecular system C₆F₆.C₆D₆

Overell¹,

Pawley²

1982

Acta Crystallogr Sect B

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An X-ray diffraction study of the molecular complex system hexaflurobenzene-deuterobenzene at 279K is reported. The structure has been determined for the first time as rhombohedral, space group R3m or R3m, and of unit-cell dimensions a = 7.310 (19)/k and a = 109.67 (43) °, giving a unit-cell volume of 299 (5) A ~. R = 0.098 for 150 independent reflections. There is one molecule of each species within the unit cell and they are alternately arranged in infinite stacks along the unique [ 111 ] crystallographic direction, the molecular planes being perpendicular to this direction. Both constrained and unconstrained refinements have been done and the results of both are presented. The constraints consisted of rigidly fixing the bond lengths and geometry of the molecules such that the resulting molecular hexad symmetry axis was coincident with the unique axis of the structure. The unconstrained model relaxes the fixed bond lengths but the hexad symmetry is retained. The possibility of pairing of the molecules along the unique direction is considered for this phase, and crystallographic evidence is given for at least two other solid-state phases of this system.

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Section: Discussionsupporting

confidence: 69%

Section: Introductionmentioning

confidence: 93%

An X-ray single-crystal study of the molecular system C₆F₆.C₆D₆

Overell¹,

Pawley²

1982

Acta Crystallogr Sect B

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“…The atomic numbering and thermal ellipsoids of the non-H atoms are shown in Fig. 1 (Dahl, 1971(Dahl, , 1975(Dahl, , 1977.…”

Section: Ciihi2f3nomentioning

confidence: 99%

Structure of ethyl 4-acetyl-5-methyl-3-trifluoromethylpyrrole-2-carboxylate

Yamamoto¹,

Machida²,

Taga³

et al. 1986

Acta Crystallogr C

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“…They are just within the sum of two van der Waals radii of aromatic rings viz. 346 pm [21] and are closer than the interplanar separation (356 pm) of the mesitylene and C 6 F 6 rings in their 1 : 1 complex [9]. Accordingly, F : F repulsion does not appear to be a major adverse factor.…”

Section: Supramolecular Interactionsmentioning

confidence: 92%

“…In neither case was the possibility of supramolecular interactions considered, though the effect of F´´´F repulsion on possible p-stacking is clearly of interest. Intermolecular polyfluoroarene : arene complexes are known and are bonded sufficiently strongly to affect physical properties such as melting points [9].…”

Section: Introductionmentioning

confidence: 99%