April 2019 issue
Oxalate-bridged, centrosymmetric binuclear complexes of gadolinium(III) and dysprosium(III) with hexadentate bbpen2– (H2bbpen = N,N′-bis(2-hydroxybenzyl)-N,N′-bis(pyridin-2-ylmethyl)ethylenediamine) are isotypic and were synthesized for structural and magnetic susceptibility studies. The dimeric molecules of the complexes crystallize together with water and methanol molecules, with which they form a variety of weak and medium-strength hydrogen bonds.
2-Methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate was synthesized, characterized by IR spectroscopy, and its crystal structure was determined from single-crystal data. In the crystal, molecules are linked by N—H⋯O hydrogen bonds. The two independent molecules in the asymmetric unit adopt different conformations.
Each CrIII cation in the title compound is coordinated by the six N atoms from two 1,4,7-triazacyclononane (tacn) ligands, displaying a distorted octahedral environment. The crystal packing is stabilized by extensive hydrogen-bonding interactions involving the N—H groups of the tacn ligands, O—H groups or O atoms of the water molecules and Cl atoms of the [ZnCl4]2− anions.
The crystal structures of sodium dirubidium citrate and sodium dirubidium citrate dihydrate have been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. Both structures contain Na chains and Rb layers, which link to form different three-dimensional frameworks.
The synthesis and the crystal structure of a NiFe complex containing an azaphosphatrane ligand is discussed. The NiFe(TPAP)(CO)5 complex contains a pendant pyridine base in close proximity to the NiFe metal center.
2-Oxo-1,3-thiazolidin-4-iminium cations interact with a chloride anion via N—H⋯Cl hydrogen bonds, forming a supramolecular chain. These supramolecular chains are further extended by weak C—H⋯Cl, C—H⋯O and C—O⋯π intermolecular interactions forming a 3D supramolecular network.
The crystal structure of Sr(ClO4)2 is isotypic with its Ca homologue.
The title molecular salt crystallized with four 2-(1H-indol-3-yl)ethanaminium cations and four acetate anions in the asymmetric unit, together with two water molecules of crystallization.
Single crystals of tetraisobutybis(μ2-triphenylacetato-κO:κO′)dialuminium have been formed in the reaction between tris(tetrahydrofuran)tris(triphenylacetato)neodymium and triisobutylaluminium, Al(iBu)3, in hexane followed by low-temperature crystallization (243 K) from the reaction mixture.
In the title diepoxyphenalene derivative, two dihydrofuran and two tetrahydrofuran rings, as well as one cyclohexane ring, are fused together with two methyl carboxylate groups in positions 2- and 3-. In the crystal, two pairs of C—H⋯O hydrogen bonds link the molecules to form inversion dimers, enclosing two (6) ring motifs.
The dihedral angle between the 4-fluorophenyl ring and the 4-chlorophenyl ring is 56.13 (13)°. In the crystal, molecules are linked by C—H⋯Cl hydrogen bonds stacking in a column along the a axis. The crystal packing is further stabilized by face-to-face π–π stacking interactions between the centres of the similar aromatic rings of the adjacent molecules.
The molecule of the compound adopts the phenol–imine tautomeric form. In the crystal, molecules are linked via pairs of bifurcated O—H⋯O hydrogen bonds between the phenol OH groups, forming inversion dimers with an (5) ring motif.
The three-component title compound contains a molecule each of 2,2′-dithiodibenzoic acid (DTBA), 2-chlorobenzoic acid (2CBA) and dimethylformamide (DMF). The molecules are connected via O—H⋯O hydrogen bonds between DTBA and 2CBA molecules, and O—H⋯O hydrogen bonds between the second carboxylic acid of DTBA and the carbonyl group of the DMF molecule.
The crystal structures of two 2-[(2-oxo-2H-chromen-4-yl)oxy]acetamide derivatives are described and the intermolecular contacts in the crystals analysed using Hirshfeld surface analysis and two-dimensional fingerprint plots.
In the crystals of 9-bromo-2,5-dimethyl-11,12-dihydro-5H-5,11-methanobenzo[g][1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine (I) and 7-methoxy-5-methyl-2-(pyridin-4-yl)-11,12-dihydro-5H-5,11-methanobenzo[g] [1,2,4]triazolo[1,5-c][1,3,5]oxadiazocine (II), N—H⋯N hydrogen bonds link the molecules to form inversion dimers in I and chains along the  direction in II.
The crystal and molecular structures of (Z)-3-(4-chlorophenyl)-2-phenylacrylonitrile are reported and the weak non-covalent interactions present in the crystal structure have been investigated.
The title compound has been synthesized by a Claisen–Schmidt reaction. The molecular structure is fully extended in the E,E configuration. C—H⋯π interactions have a dominant role among the intermolecular interactions.
The title compound features an intramolecular hydrogen bond involving the acidic H atom bound to the cage C atom and an ortho-F atom of the heptafluorotolyl substituent.
Two conformationally similar molecules comprise the asymmetric unit of the title compound. In the crystal, hydrazinyl-N—H⋯N(thiazolyl) and hydrazinyl-N—H⋯O(sulfonyl) hydrogen bonds assemble the molecules into an undulating supramolecular layer parallel to (010).
The title compounds, two isomers of nitro trifluoromethyl benzoic acid, each contain a nitro functionality para to the carboxylic acid group, with the trifluoromethyl substituent ortho to the acid group in the 2-isomer and ortho to the nitro group in the 3-isomer. The regiochemistry with respect to the trifluoromethyl group results in steric interactions that rotate the carboxylic acid group or the nitro group out of the aromatic plane in the 2- and 3-isomer, respectively.