Encyclopedia of Supramolecular Chemistry

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Analytische chemie I

In the current review of the journal Structural Chemistry, the contents of the issues 1–3 for the calendar year 2012 are related to thermochemistry. A brief thermochemical commentary is added to the summary of each article.

Interplay of thermochemistry and Structural Chemistry , the journal (volume 23, 2012, issues 1–3) and the discipline

In the current review of the journal Structural Chemistry, the contents of the issues 4–6 for the calendar year 2012 are related to thermochemistry. A brief thermochemical commentary is added to the summary of each paper.

Interplay of thermochemistry and Structural Chemistry , the journal (volume 23, 2012, issues 4–6) and the discipline

A series of the cadmium and zinc carboxylate complexes with anions of pentafluorobenzoic (HРfbz) and 2,3,4,5-tetrafluorobenzoic (HТfbz) acids and N-donor ligands (1,10-phenanthroline (Phen) and quinoline (Quin)), [Cd(Pfbz)2(Phen)]n (I), [Cd(Рfbz)2(Рhen)2]·2MeCN (II), [Zn(H2O)-(Рfbz)2(Рhen)] (III), [Zn2Cd(Рfbz)6(Рhen)2]⋅2C6H6 (IV), [Cd2(H2O)2(Tfbz)4(Рhen)2] (V), [Cd2-(H2O)2(Tfbz)4(Quin)2] (VI), and [Cd(Tfbz)2(Phen)2]⋅HTfbz (VII), is synthesized. The structures of new complexes I–VII are determined by X-ray diffraction analysis (CIF files CCDC nos. 1871300, 2005461, 2005462, 2005464, 2005466, 2005465, and 2005459, respectively). The majority of the synthesized compounds is typical of intramolecular stacking interactions between the coordinated molecules of the aromatic N-donor ligands and fluorinated substituents of the carboxylate anions. These interactions lead to the formation of unusual compounds, which are different in the cases of pentafluorobenzoates and tetrafluorobenzoates, in particular, coordination polymer I and binuclear complexes V and VI with coordinated water molecules. The synthesized zinc and cadmium compounds differ in structure and composition.

Influence of the Fluorinated Aromatic Fragments on the Structures of the Cadmium and Zinc Carboxylate Complexes Using Pentafluorobenzoates and 2,3,4,5-Tetrafluorobenzoates as Examples

Considering the specific supramolecular synthon design of carboxylic acid and alcoholic hydroxyl groups in the field of crystal engineering, we compared the solid state structures of particular benzoates and corresponding acids 1–4 both in the non-spacered (1, 2) and spacered (3, 4) forms. Based on the single crystal X-ray study, there is only a slight influence of the phenylacetylene spacer with regard to the layer lattice arrangement of the benzoates while referring to the benzoic acid analogues the addition of the spacer gives rise to a modification of the lattice from a layer to a tape structure. Dependent on the crystallization conditions, two crystalline polymorphs of compound 3 (3a, 3b) were obtained and discussed regarding their structural differences.

A comparison of X-ray crystal structures including methyl 3,5-bis(hydroxymethyl)benzoate, its phenylethynyl extended derivative in polymorphous forms and the corresponding carboxylic acids

Three tartaric ester and tartaric acid derivatives (1–3) with the hydroxy groups being linked via cyclic acetal (1,3-dioxolane) formation to a rigid core, containing phenyl and ethynyl units, have been synthesized. Their crystal structures are reported, emphasizing the molecular geometry, intermolecular interactions, and the resulting packing motifs. All dioxolane rings present in the crystal structures of 1–3 are analyzed and compared with regard to their conformational behavior. In spite of similar substitution patterns, the dioxolane units adopt different conformations including twist and varying envelope isomers. The crystal structures are dominated by C–H···O (esters 1 and 2) and O–H···O (acid 3) hydrogen bonds, leading to different types of packing motifs being characteristic of strand and layer formation.

X-ray crystal structures and conformational analysis of cyclic acetals derived from tartaric acid and rigid spacer units

Synthesis and solvent sorption characteristics of new types of tartaric acid, lactic acid and TADDOL derived receptor compounds

In order to find out the consequences of a methyl substitution on the crystalline packing behaviour of the parent compound 2,6-diphenyl-4-nitrophenol, three analogous nitrophenols being substituted at different positions of the lateral phenyl rings were comparatively studied with regard to their crystal structures. While the molecular structures do not suggest marked differences, the network structures do, showing dependency on the presence and positional substitution of the methyl groups. This is revealed by the formation of weakly O—H...π bonded dimers or supramolecular chains, more strongly hold together through interacting OH and nitro groups.

Diana Eißmann

Papers

A comparison of X-ray crystal structures including methyl 3,5-bis(hydroxymethyl)benzoate, its phenylethynyl extended derivative in polymorphous forms and the corresponding carboxylic acids

X-ray crystal structures and conformational analysis of cyclic acetals derived from tartaric acid and rigid spacer units

Synthesis and solvent sorption characteristics of new types of tartaric acid, lactic acid and TADDOL derived receptor compounds

Influence of added and differently attached methyl groups on the crystal structure of 2,6-diphenyl substituted p-nitrophenol