May 2016 issue
The unequal C—C bond lengths in the six-membered ring of the C6H7N2O2+ cation of the title compound can be understood in terms of two separate delocalized systems.
The asymmetric unit comprises two independent molecules. In the crystal, the two independent molecules are linked by bifurcated N—H⋯O hydrogen bonds, forming a supramolecular chain with a (14)[(5)] motif.
In the crystal, enantiomerically pure (S)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropanaminium hydrogen maleate, also known as levomepromazine maleate, forms a three-dimensional supramolecular network through N—H⋯O, C—H⋯O and C—H⋯π interactions. The asymmetric unit comprises two slightly conformationally different levomepromazine cations and two hydrogen maleate anions.
The organic-inorganic title salt contains a cation with a chair conformation of the piperazine ring and an eclipsed dichromate anion. The entities are linked by N—H⋯O and C—H⋯O hydrogen bonds into a three-dimensional network structure.
The title molecular salt exhibits anticonvulsant and hypnotic activities. In the crystal, the 5-(2,4-dinitrophenyl)-N,N-dimethylbarbiturate anion is linked to the creatininium cation by N—H⋯O hydrogen bonds, forming sheets parallel to the ab plane.
Crystallographic analysis of a nucleoside analog of the 2′-deoxyguanosine/abasic site cross-link is presented. This structure corroborates an earlier two-dimensional NMR analysis, concluding that the 2-deoxyribose unit attached at the exocyclic N2-amino group of the guanine residue exists in the cyclic aminoglycoside form.
The anion has an open-chain structure in which one of the oxygen atoms of the sulfate residue, the S atom, the C atoms of the sugar chain and the O atom of the hydroxymethyl group form an essentially planar zigzag chain. A three-dimensional bonding network exists in the crystal structure involving hexacoordination of sodium ions by O atoms, three of which are provided by a single D-lyxose–sulfonate unit and the other three by two sulfonate groups and one hydroxymethyl group, each from separate units of the adduct. Extensive intermolecular O—H⋯O hydrogen bonding supplements this bonding network.
The structure of Na4Ni7(AsO4)6 is made of layers of Ni octahedra and As tetrahedra assembled in sheets parallel to the bc plane. These layers are interconnected by corner-sharing between Ni octahedra and As tetrahedra. This linkage creates tunnels running along the c axis in which the Na atoms are located.
Unlike several other dipeptides with two hydrophobic residues, L-Leu-L-Ile has not previously been obtained as an alcohol solvate, forming instead two different hydrates. Formation of a co-crystal has here been achieved by using a 2,2,2-trifluoroethanol solution. As expected, the resulting structure is divided into hydrophilic and hydrophobic layers.
The supramolecular structure of the title 1:1 co-crystal consists of (100) sheets linked by O—H⋯N and N—H⋯O hydrogen bonds.
In the molecular cation of the title compound, the NiII ion is located on an inversion centre and is coordinated by two tridentate triethanolamine ligands. Two 3-hydroxybenzoate counter-anions and four lattice water molecules give rise to the formation on an intricate system of hydrogen bonds.
In the title compund, the enone moiety adopts an E conformation. An intramolecular C—H⋯F hydrogen bond generates an S(6) ring motif. In the crystal, molecules are arranged into centrosymmetric dimers via pairs of C—H⋯F hydrogen bonds. The crystal structure also features C—H⋯π and π–π interactions. Hirshfeld surface analysis was used to confirm the existence of intermolecular interactions.
In both structures, molecules are linked into hydrogen-bonded chains. In (Z)-5-[2-(benzo[b]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1H-tetrazole methanol monosolvate, these chains involve both tetrazole and methanol, and are parallel to the b axis. In (Z)-5-[2-(benzo[b]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-tetrazole, molecules are linked into chains parallel to the a axis by N—H⋯N hydrogen bonds between adjacent tetrazole rings.
In the title centrosymmetric MnII complex, the MnII atom is coordinated by two 4-nitrobenzoate (NB) anions, two nicotinamide (NA) ligands and two water molecules; the NB and NA ligands act as monodentate ligands. The resulting MnN2O4 coordination polyhedron is a distorted octahedron.
The asymmetric unit comprises one 3-chlorothiophene-2-carboxylic acid (3TPC) and one acridine molecule linked together via an O—H⋯N hydrogen bond.
The title compound is the product of the Chichibabin domino reaction of 1,8-bis(2-acetylphenoxy)-3,6-dioxaoctane with 4-methylbenzaldehyde and ammonium acetate in acetic acid. It is of interest with respect to its potential anticancer activity. The compound has a bowl-like conformation comprising a fused tetracyclic system containing a 4-arylpyridine fragment, two benzene rings and an aza-17-crown-5 ether moiety.
In the crystal of the title substituted hemibiquinone derivative, the ring systems interact through an intramolecular O—H⋯Omethoxy hydrogen bond, which induces a geometry quite different from those in previously reported hemibiquinone structures. The molecules associate through an intermolecular O—H⋯Nnitrile hydrogen bond and are interlinked through very weak C—H⋯N hydrogen bonds.
The CrIII ion in the title compound is coordinated by six N atoms of three chelating 1,2-cyclohexanediamine (chxn) ligands, displaying a distorted octahedral environment. The crystal packing is stabilized by extensive hydrogen-bonding interactions between the N—H groups of the chxn ligands, O—H groups or O atoms of the water molecules, chloride ions and Cl atoms of the disordered [ZnCl4]2− anions.
These benzamide derivatives differ only in the substituent that terminates the hexyl chain and the nature of these substituents determines the differences in hydrogen bonding between the molecules.
Tetrahydro-3-benzazepines with a hydroxy group in the 1-position and a methyl group in the 2-position were designed as conformationally restricted ifenprodil analogues. The enantiomerically pure 3-benzazepine (S,R)-4 representing a constitutional isomer of ifenprodil shows high affinity towards the ifenprodil binding site (Ki = 26 nM) and high antagonistic activity at the NMDA receptor (IC50 = 9.0 nM). The crystal structure analysis of the intermediate sulfonamide (S,R)-2 was performed in order to assign unequivocally the relative configuration of the methyl and hydroxy groups.
Introduction of the flexible aminoalcohol substructure of ifenprodil into a more rigid ring system resulted in 2-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ols, (3) and (4), showing GluN2B affinity in the low nanomolar range. The chiral pool synthesis starting with (R)-alanine led to two diastereomers. The relative configuration of the benzazepines (3) and (4), that crystallized as racemates, was determined to be (S*,R*)-3 and (R*,R*)-4.
In the crystal structure of Brinzolamide, the various hydrogen bonds present lead to the formation of a bilayer structure. The absolute configuration of the asymmetric C atom was determined to be R by resonant scattering.
In the title compound, the pyrrolidine ring adopts an envelope conformation, which may be correlated with the intramolecular O—H⋯N hydrogen bond.
The most important intermolecular interactions in the two indole derivatives described here are N—H⋯π bonds, which lead to chains in one case and inversion dimers in the other; C—H⋯π interactions appear to reinforce the N—H⋯π bonds in each case.
The structures of two substituted coumarin derivatives are reported, one with acetate and the other with pent-4-ynoate substituents.
The asymmetric unit of title compound contains two independent molecules which are built from three fused rings: a heptane ring, a cyclohexyl ring bearing a ketone and an alcohol group, and a three-membered cyclopropane ring bearing two Cl atoms. In the crystal, the molecules are linked by O—H⋯O and C—H⋯O hydrogen bonds, forming chains propagating along .
The crystal structure of a binuclear monocarboxylato dirhenium(III) complex with a fulvalene derivative is reported. This compound represents a radical cation salt containing a cluster unit with rhenium–rhenium quadruple bond.
In the title chalcone derivative, molecules are linked into a three-dimensional network by C—H⋯O hydrogen bonds and aromatic π–π stacking interactions are also observed. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis.
This porphyrinate macrocycle of the title compound exhibits a strong saddle and moderate ruffling deformations. In the crystal, the individual manganese porphyrin complex cations and the trifluoromethanesulfonate anions are arranged in alternating planes stacked along .
A novel oxalate-bridged manganese +II compound, catena-poly[guanidinium [[aquachloridomanganese(II)]-μ2-oxalato-κ4O1,O2:O1′,O2′] monohydrate], has been synthesized as single crystals at room temperature and characterized by X-ray diffraction, infrared and UV–Visible spectroscopic analyses, confirming the formation of a layered-type three-dimensional structure.
Conditions to obtain two polymorphic forms by crystallization from solution were determined for the analgestic drug hydromorphone. In both polymorphs, the hydromorphone molecules adopt very similar conformations with some small differences observed only in the N-methyl amine part of the molecule. The crystal structures of both polymorphs feature chains of molecules connected by hydrogen bonds
In canagliflozin hemihydrate, the hydropyran ring exhibits a chair conformation in both canagliflozin molecules. In the crystal, the canagliflozin molecules and lattice water molecules are connected via O—H⋯O hydrogen bonds into a three-dimensional supramolecular architecture.
The structure of the title compound consists of a three-dimensional structure made of corner-sharing FeO6 octahedra and MoO4 tetrahedra with Ag/Na cations occupying the same site in the polyhedral interstitial spaces.
The cyanide complex [N(CH3)4][Fe(2,2′-bipy)(CN)4]·3H2O (2,2′-bipy is 2,2′-bipyridine) was synthesized as a building block for the construction of a new two-dimensional cyanide-bridged Fe–Cd bimetallic coordination polymer, [Fe(2,2′-bipy)(CN4)Cd(en)2]·H2O, in which ethylenediamine (en) adopts both bridging and chelating coordination modes.
In the title salt, each cation shows a moderate distortion between the planes of the amide groups and the quinolinium rings. The trifluoromethanesulfonate anions are linked to organic cations via N—H⋯O hydrogen-bonding interactions involving the NH amide groups. In the crystal, weak C—H⋯O hydrogen bonds and π-stacking interactions between the quinolinium and phenyl rings link the organic cations into chains.
The tetrahydrated brucinium salt of p-arsanilic acid forms a three-dimensional hydrogen-bonded network featuring the previously described undulating layered brucinium host substructure accommodating the anions and water guest molecules and stabilized by cation–anion N—H⋯O and O—H⋯O hydrogen-bonding interactions.
In the title compound, the 1,3-dioxane ring is in a chair-like conformation, while the fused oxolane ring adopts an envelope form. In the crystal, classical O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a sheet structure.
In [Ni(C16H14N3OS)2], the nickel ion is tetracoordinated in a square-planar geometry by two independent molecules of the ligand which act as mononegative bidentate N,S-donors and form two five-membered chelate rings. Close approach of hydrogen atoms to Ni2+ suggests anagostic interactions (Ni⋯H—C) are present.
The title three-dimensional metal–organic framework (MOF) material features an anionic framework constructed from Zn2+ cations and benzene-1,3,5-tricarboxylate (BTC) organic anions. Charge balance is achieved by outer sphere ammonium cations formed by degradation of di-n-butylamine in the solvothermal synthesis of the material.
A one-dimensional NiII coordination polymer has been prepared via solvothermal synthesis using dimethyl sulfoxide as solvent. The coordination polymer forms double-chains along  and exhibits π–π stacking and C—H⋯π interactions forming the interior of the double-chains, separated from a C—H⋯π hydrogen-bonding network in the space between the double-chains.