January 2018 issue
8-(4-Methylphenyl)-2′-deoxyadenosine was synthesized using a Suzuki–Miyaura cross-coupling reaction of 8-bromo-D-2′-deoxyadenosine and 4-methylphenylboronic acid in the presence of Pd(OAc)2 and a salton-derived ligand as a highly catalytically active system. There are two independent molecules plus one solvent water in the asymmetric unit and the packing in the crystal lattice is heavily influenced by hydrogen bonding
A new Zn coordination polymer with bitopic rigid terephthalate and flexible 1,6-bis(1,2,4-triazol-1-yl)hexane was synthesized and structurally characterized.
The molecular and crystal structures of two 3-benzyl-2-[(E)-2-(2-aryl)ethenyl]-2,3-dihydroquinazolin-4-ones – products of three-component reactions between benzylamine, isatoic anhydride and furyl- or thienyl-acrolein in the presence of catalytic quantity of p-TsOH – were studied by X-ray diffraction.
The crystal structures of the title salts consist of discrete anionic complexes, in which the MnII atom is either in a distorted tetrahedral or a trigonal–bipyramidal coordination environment by terminal N-bonding thiocyanate ligands. The complex anions are charge-balanced by two or three 4-(dimethylamino)pyridinium cations.
The disubstituted urea molecule has a twisted conformation for each of the two molecules comprising the asymmetric unit. Intramolecular amine-N—H⋯N(imine) and hydroxy-O—H⋯O(methoxy) hydrogen bonds are noted. In the molecular packing, amide-N—H⋯O(amide), hydroxyl-O—H⋯N(imine) and phenylamine-N—H⋯O(methoxy) hydrogen bonding leads to layers in the ac plane.
Two unprecedented two-dimensional and one-dimensional ZnII and CdII complexes based on a semi-flexible ligand have been structurally identified.
The molecular structure of the titanium(IV) half-sandwich title complex comprises one pentamethylcyclopentadienyl ligand, one diphenylamido ligand and one η4-bound ketimine ligand, leading to a three-legged piano-stool geometry.
The crystal structure of a novel binuclear copper(II) complex with a dianionic Schiff base derived from 5-bromosalicylic aldehyde and cysteamine prepared by direct synthesis is reported.
In the crystal, intermolecular weak C—H⋯O hydrogen bonds link the molecules into the supramolecular chains propagating along the a axis.
The CuII cation, located on a twofold rotation axis, is coordinated by two 4-sulfamoylbenzoate anions, two nicotinamide (NA) molecules and one water molecule in a slightly distorted square-pyramidal geometry.
The asymmetric unit of the crystal of the title compound contains two rivaroxaban molecules with different conformations.
The whole molecule of the title porphyrin, which crystallized as a nitrobenzene disolvate, is generated by inversion symmetry. In the crystal, the porphyrin molecules are linked by C—H⋯O hydrogen bonds, forming chains along . The solvent molecules are also linked by C—H⋯O hydrogen bonds, forming chains along . Interdigitation of the p-tolyl groups along the c axis creates rectangular channels in which the solvent molecules are located.
The title compound crystallized with two conformationally very similar independent molecules (A and B) in the asymmetric unit. In the crystal, the individual molecules are linked by pairs of N—H⋯O hydrogen bonds, forming A–A and B–B inversion dimers, with (10) rings.
The crystal structure features two O—H⋯O hydrogen bonds, forming chains along the  direction.
In the title compound, ethyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate, the six-membered 1,3-dithiane ring has a twist-boat conformation. In the crystal, the molecule stack in layers up the a axis; there are no significant intermolecular interactions present.
The product of the reaction of CuCl2·2H2O with both one equivalent of acetonyl triphenylphosphonium chloride and one equivalent of 2,3,5-triphenyltetrazolium chloride is described. The dianion, [CuCl4]2−, adopts a distorted tetrahedral geometry.
The asymmetric unit contains two conformationally unequal zwitterion molecules that differ in the intramolecular hydrogen-bonding patterns. The 2C5 β-fructopyranose conformation also dominates in the compound's solution.
The packing motifs in the title compounds both feature C—H⋯O interactions but they show distinctly different Hirshfeld surface fingerprints.
In the crystal, tetrameric supramolecular aggregates linked by O—H⋯O hydrogen bonds occur; these further interact with neighboring aggregates through C—Cl⋯π interactions arising from the benzene rings, forming infinite two-dimensional sheets. Each C6Cl4 ring shifts in the direction perpendicular to the two-dimensional sheet, exhibiting a helical chain in which every C6Cl4 ring is utilized as both a donor and an acceptor of Cl⋯π contacts. Thus, these two-dimensional sheets pack in a helical fashion, constructing a three-dimensional network.