forthcoming articles

The following articles are a selection of those recently accepted for publication in IUCr journals.

IUCrJ
Accepted 15 October 2019

A fixed-target platform for serial femtosecond crystallography in a hydrated environment

This work demonstrates the use of polymer thin films and graphene to support and maintain the hydration of protein microcrystals on fixed targets for serial femtosecond crystallography at XFELs. Rapid encystment protein (REP24) provides a benchmark for this encapsulation approach.

Accepted 10 October 2019

Structure-based mechanism of cysteine-switch latency and of catalysis by pappalysin-family metallopeptidases

The members of the unicellular pappalysin famaily of metallopeptidases are secreted as zymogens provided with a short N-terminal pro-segment, which blocks the catalytic zinc cation by a cysteine-switch mechanism, as structurally shown for bacterial mirolysin. This is a mechanism to prevent activity in the absence of the adequate temporal and spatial requisites. In addition, the complex of mirolysin with a large peptide reveals the structural basis of its catalytic mechanism.

Accepted 23 September 2019

Toward G protein-coupled receptor structure-based drug design using X-ray lasers

A method is presented for efficient co-crystal structure determination for G protein-coupled receptors taking advantage of serial femtosecond crystallography.

Accepted 11 September 2019

Throughput and resolution with a next-generation direct electron detector

The superior image quality given by the DE64 direct electron detector in counting mode is more important for high-resolution cryo-EM reconstructions than its superior throughput in integrating mode.

Accepted 5 September 2019

Crystal structure of the putative cyclase IdmH from the indanomycin nonribosomal peptide synthase/polyketide synthase

The crystal structure of IdmH from the biosynthetic gene cluster for indanomycin is presented. NMR data show that this enzyme binds its postulated product, indanomycin, and QM/MM modelling of the reaction strongly supports the view that IdmH catalyses indane-ring formation in indanomycin biosynthesis via a Diels–Alder reaction.

Accepted 16 August 2019

A comparative study of single-particle cryo-EM with liquid-nitrogen and liquid-helium cooling

Radiation damage is the most fundamental limitation for achieving high resolution in cryo-EM, and is expected to be reduced at liquid-helium temperature. Surprisingly, cryo-EM reconstructions of apoferritin samples cooled with liquid helium showed no improvement in resolution over liquid-nitro­gen-cooled samples, but showed substantially more beam-induced particle motion.
Journal logoActa Crystallographica Section A
Acta Crystallographica
Section A
FOUNDATIONS AND ADVANCES

Accepted 25 September 2019

Cluster mining: an approach for determining core structures of metallic nanoparticles from atomic pair distribution function data

A novel approach for finding and evaluating structural models of small metallic nanoparticles is presented.

Accepted 17 September 2019

Elastic propagation of fast electron vortices through amorphous materials

This article describes the scattering behavior of electron vortices inside amorphous samples. It focuses on the vortex purity, net angular momentum transfer, and statistical variations due to random beam and atom positions.

Accepted 15 September 2019

Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis

A novel data-driven approach for synchrotron Laue X-ray microdiffraction scans is presented based on machine learning techniques.

Accepted 8 September 2019

A parameter-free double-shear theory for lath martensite

In analogy to the original phenomenological theory of martensite crystallography, a double-shear theory for lath martensite is proposed which chooses the shearing systems as those that are macroscopically equivalent to double twinning. Using only the additional assumptions of overall small shape strain magnitude and a condition of maximal compatibility, this approach naturally gives rise to {5 5 7}γ habit planes and orientation relationships close to the Kurdjumov–Sachs model.

Accepted 3 September 2019

Relativistic correction of atomic scattering factors for high-energy electron diffraction

Relativistic electron diffraction depends on linear and quadratic terms in the electric potential, the latter being neglected in the frequently used relativistically corrected Schrödinger equation. Conventional tabulations for electron scattering and its large-angle extrapolations can be amended in closed form by a universal correction based on the screened Coulomb potential squared.

Accepted 2 September 2019

Normally supportive sublattices of crystallographic space groups

Subgroups of 3D crystallographic space groups that are also normal subgroups of 3D space groups have long been of interest. For each arithmetic crystal class of 3D space groups, the sublattices capable of supporting such subgroups are tabulated.
Journal logoActa Crystallographica Section B
Acta Crystallographica
Section B
STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

Accepted 15 October 2019

Ammonium tantalum oxide fluorides: New features of dynamic disorder Ammonium tantalum oxide fluorides: New features of dynamic disorder

Single crystals of ammonium fluoride double salt of tantalum, crystal structure of which contains eight-coordinated polyhedron in the shape of cube. Single crystals of ammonium fluoride double salt of tantalum, crystal structure of which contains eight-coordinated polyhedron in the shape of cube.

Accepted 4 October 2019

Combining Photoinduced Linkage Isomerism and Nonlinear Optical Properties in Ruthenium Nitro­syl Complexes

Double optical functionality of a ruthenium nitro­syl compound is achieved by the combination of photoswitching of the nitro­syl ligands, giving rise to photochromic behaviour, with the second-harmonic generation enabled by the alignment of the molecular dipoles in the non-centrosymmetric structure of trans-[RuNO(NH3)4F]SiF6.

Accepted 1 October 2019

Fluxional seven-coordinated fluorido- and oxo­fluoridotantalates

- Highly disordered crystal structure of Rb3TaOF6 with the coexistence of rigid and fluxional pentagonal bipyramidal polyhedra, reflecting in its vibrational spectra.

Accepted 1 October 2019

Comparison of the crystal structures and physicochemical properties of novel resveratrol cocrystals

Resveratrol (RSV) cocrystallizes with 4, 4'-vinyl­enedi­pyridine (DPE) to form five cocrystals with polymorphism and solvates. The RSV–2DPE can transform from Form I to Form II during the heating process, remaining their single crystal forms. The physicochemical properties of RSV cocrystals are closely related to their crystal packing modes. The cocrystallization with DPE or 4, 4'-ethyl­enedi­pyridine (BPE) modulates the RSV solubility and dissolution.

Accepted 30 September 2019

Solvates of acoti­amide hydro­chloride: characterization and phase transformation

Five novel crystal structures with acoti­amide hydro­chloride (AH) DMF hydrate (1AH-1W-1DMF), DMSO solvates (1AH-1DMSO-I, 1AH-1DMSO-II), DMSO hydrate (1AH-1W-1DMSO) and DMSO ethyl acetate solvate (2AM-2DMSO-1EA) were obtained. And phase transformation experiments show humidity-induced phase transformation is closely tied to moisture content

Accepted 27 September 2019

Inter­molecular inter­action energies and molecular conformations in N-substituted 4-aryl-2-methyl­imidazoles with promising in vitro anti­fungal activity

An efficient and regioselective microwave-assisted synthesis is reported of tri-substituted imidazoles in good yields by a pseudo-tricomponent reaction of acetamidine with two equivalents of substituted α-bromo­aceto­phenones. Crystallographic results show that a correlation between the substituent groups in the aryl rings and the molecular conformation and supramolecular assembly exists, with the energy frameworks dominated by dispersion forces. N-Substituted imidazoles were tested against standardized strains of the clinically important fungi Candida albicans and Cryptococcus neoformans, displaying good activities against C. neoformans.

Accepted 26 September 2019

Lab in a DAC – high-pressure crystal chemistry in a diamond-anvil cell

For 60 years innovative methods using the diamond-anvil cell (DAC) have been applied in high-pressure crystal chemistry, physics and biology in increasingly many laboratories.

Accepted 25 September 2019

Two topologically different 3D CuII metal–organic frameworks assembled from the same ligands: control of reaction conditions

Two 3D CuII metal–organic frameworks were assembled from 2,2′-di­sulfonylbi­phenyl-4,4′-di­carb­oxy­lic acid and 4,4′-bi­pyridine; compounds (1) and (2) show an unprecedented trinodal 4,4,5-connected topology and a 4,6-connected network with the fsc topology, respectively.

Accepted 24 September 2019

The structures and phase transitions in 4-amino­pyridinium tetra­aqua­bis­(sulfato)­iron(III), (C5H7N2)[FeIII(H2O)4(SO4)2]

A detailed investigation is reported of three successive structural phase transitions from a disordered room-temperature phase through two incommensurately modulated structures to a completely ordered twinned low-temperature phase in the organic–inorganic hybrid compound (C5H7N2)[FeIII(H2O)4(SO4)2].

Accepted 23 September 2019

How hard metal becomes soft: crystallographical analysis on the mechanical behavior of ultra-coarse cemented carbide

Based on the designed experiments and microstructural characterization combined with crystallographical analysis, the evolution of slip systems, motion and interaction of dislocations with the temperature are quantified for the WC hard phase. Mechanisms are proposed for the formation of the sessile dislocations in the main slip systems at the room temperature and the glissile dislocations in the new slip systems activated at high temperatures.

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Journal logoActa Crystallographica Section C
Acta Crystallographica
Section C
STRUCTURAL CHEMISTRY
Journal logoActa Crystallographica Section D
Acta Crystallographica
Section D
STRUCTURAL BIOLOGY

Accepted 16 October 2019

Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1

Mcl-1 is an important cancer target for drug therapy through which normal apoptosis may be restored by inhibiting its protective function. An scFv and a Fab have been used to generate an Mcl-1 apo crystal system that is amenable to iterative structure-guided drug design.

Accepted 11 October 2019

The evolving story of AtzT, a periplasmic binding protein

The structure of AtzT, which is thought to be involved in atrazine uptake in bacteria, was solved by SAD phasing using an ethylmercury phosphate derivative. Density in the binding site was subsequently found to be guanine that was retained by the protein throughout the purification process. Replacing the guanine with 2-hydroxyatrazine allowed the manner of binding of this substrate to be determined and its comparison with what appears to be the original ligand for this protein.

Accepted 10 October 2019

Solvent flows, conformation changes and lattice reordering in a cold protein crystal

By maintaining internal solvent in a fully liquid state, temperature- and time-dependent crystal disordering and reordering, protein conformational relaxations and clear evidence for solvent flows following cooling can be observed in apoferritin crystals at temperatures between 220 and 260 K. These results illuminate the causes of and remedies for cooling-induced crystal disorder, and suggest the feasibility of studying aspects of cold denaturation under more nearly native solvent conditions at temperatures down to 200 K.

Accepted 4 October 2019

Crystal structures of the GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo and endo activity and its complex with cellobiose

Crystal structures and the enzymatic properties of the GH6 Orpinomyces sp. Y102 CelC7 enzyme suggest that this enzyme may perform enzymatic hydrolysis in the same way as cellobiohydrolases and endoglucanases.

Accepted 2 October 2019

Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin

Controlled dehydration experiments have revealed a new crystal form of afamin, a human blood plasma glycoprotein and transporter of hydrophobic molecules. The comparison shows substantial molecular plasticity and amplifies the necessity to examine multiple crystal forms and to refine multiple models, while at the same time the new structure cautions against the interpretation of fatty-acid ligand density in crystals derived from PEGs as major precipitants. An isomorphic low-resolution structure model suggests that afamin is capable of transporting Gd-DO3A, a magnetic resonance imaging compound.

Accepted 28 September 2019

Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS

The lytic cassette proteins XepA and YomS from B. subtilis prophages have been characterized and it was found that only XepA establishes cytotoxic activity in plaque assays. The crystal structures of both proteins show a unique pentameric assembly, in which YomS adopts a very similar fold to the C-terminal domain of the XepA dumbbell pentamer. The overall architecture of XepA, with the N-terminal domain subunits resembling cytoplasmic membrane-binding C2-domain folds, suggests that any lytic functionality could be based on disruption of the proton motive force of the cytoplasmic membrane, which induces cell lysis.

Accepted 26 September 2019

Toward the computational design of protein crystals with improved resolution

The nature of crystallography of biological macromolecules can be unpredictable, and protein crystals do not consistently produce high-resolution diffraction data. In the study described here, it was sought to develop a computational design approach that could identify resolution-enhancing point mutations at crystallographic protein–protein interfaces.

Accepted 17 September 2019

SAD phasing of XFEL data depends critically on the error model

SAD phasing of XFEL data is shown to require accurate error estimates from the merged reflection intensities. Various methods of treating the errors are presented, including a best-practice approach that refines error-correction terms using a nonlinear least-squares method.

Accepted 17 September 2019

Structure of Sonic Hedgehog protein in complex with zinc(II) and manganese(II) reveals ion-coordination plasticity relevant to peptide drug design

The Sonic Hedgehog (Shh) protein is essential for embryonic patterning, but can contribute to various cancers when the underlying signaling pathway is aberrantly activated. Here, the structure of the human Shh signaling domain is presented in complex with octahedrally coordinated Zn2+ and Mg2+ ions at 1.43 Å resolution that give rise to localized changes. The modes of ion coordination are compared with previous structures determined in isolation or in complex with binding partners, which reveals significant plasticity in the modes of metal coordination that has implications for the design of peptide drugs to repress the signaling pathway.

Accepted 13 August 2019

Visualization of protein crystals by high-energy phase-contrast X-ray imaging

High-energy phase-contrast X-ray microscopy and tomography of protein crystals in an optically opaque matrix is demonstrated with micrometre resolution on the macromolecular crystallography beamline P14 at PETRA III.

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Journal logoActa Crystallographica Section E
Acta Crystallographica
Section E
CRYSTALLOGRAPHIC COMMUNICATIONS

Accepted 18 October 2019

Different packing motifs mediated by weak inter­actions and polymorphism in the crystal structures of five 2-(benzyl­idene)benzosuberone derivatives

The title compounds, which differ in the substituent at the 4-position of the pendant benzene ring, show different packing motifs mediated by weak C—H⋯X (X = O or N) inter­actions. One of them is a polymorph of a known structure.

Accepted 17 October 2019

Crystal structure and photoluminescent properties of catena-poly[[bis­(1-benzyl-1H-imidazole-κN3)cadmium(II)]-di-μ-azido-κ4N1:N3]

The crystal structure and photoluminescence properties of a new one-dimensional CdII coordination polymer constructued by azide and 1-benzyl­imidazole (bzi) are reported.

Accepted 17 October 2019

Synthesis and crystal structure of (E)-2-({2-[aza­niumyl­idene(methyl­sulfan­yl)meth­yl]hydrazinyl­idene}meth­yl)benzene-1,4-diol hydrogen sulfate

The title mol­ecular salt was obtained through the protonation of the azomethine N atom in a sulfuric acid medium. The crystal com­prises two entities, a thio­semicarbazide cation and a hydrogen sulfate anion. The cation is essentially planar and is further stabilized by a strong intra­molecular O—H⋯N hydrogen bond.

Accepted 16 October 2019

Crystal structures of 2-(2-bromo-5-fluoro­phen­yl)-8-eth­oxy-3-nitro-2H-thio­chromene and 2-(2-bromo-5-fluoro­phen­yl)-7-meth­oxy-3-nitro-2H-thio­chromene

The synthesis and structure of 2-(2-bromo-5-fluoro­phen­yl)-8-eth­oxy-3-nitro-2H-thio­chromene (A) and 2-(2-bromo-5-fluoro­phen­yl)-7-meth­oxy-3-nitro-2H-thio­chromene (B) are described. In each crystal, the mol­ecules are linked by hydrogen bonds and π–π stacking inter­actions.

Accepted 16 October 2019

Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxo­ethyl picolinate

2-(4-Nitro­phen­yl)-2-oxoethyl picolinate was synthesized under mild conditions. The chemical and mol­ecular structure was confirmed by single-crystal X-ray diffraction studies. The mol­ecules are related by inversion into centrosymmetric dimers via weak C—H⋯O inter­molecular inter­actions, and further strengthened by weak π–π inter­actions. A qu­anti­fication of the inter­molecular contacts in the crystal were estimated using Hirshfeld surface analysis and two-dimensional fingerprint plots.

Accepted 16 October 2019

Crystal structure of a two-dimensional coordination framework of formula [Zn(NDC)(DEF)] (H2NDC is naphthalene-2,6-di­carb­oxy­lic acid and DEF is N,N-di­ethyl­formamide)

The zinc metal organic framework poly[bis­(N,N-di­ethyl­formamide)(μ4-naphthalene-2,6-di­carboxyl­ato)(μ2-naphthalene-2,6-di­carboxyl­ato)dizinc(II)], built from windmill-type secondary building units and forming zigzag shaped two-dimensional stacked layers, has been solvothermally synthesized from naphthalene-2,6-di­carb­oxy­lic acid and zinc(II) acetate as the metal source in N,N-di­ethyl­formamide containing small amounts of formic acid.

Accepted 16 October 2019

Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hy­droxy-3-meth­oxy­styr­yl)-4,5-di­hydro­pyridazin-3(2H)-one

In the title com­pound, inter­molecular C—H⋯O, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional supra­molecular network.

Accepted 15 October 2019

Crystal structure of two dimeric nickel di­phenyl­acetate com­plexes

The mol­ecular and crystal structures of μ-aqua-κ2O:O-di-μ-di­phenyl­acetato-κ4O:O′-bis­[(di­phenyl­acetato-κO)bis­(pyridine-κN)nickel(II)] and μ-aqua-κ2O:O-di-μ-di­phenyl­acetato-κ4O:O′-bis­[(2,2′-bi­pyridine-κ2N,N′)(di­phenyl­acetato-κO)nickel(II)]–aceto­nitrile–di­phenyl­acetic acid (1/2.5/1) are reported. Hirshfeld surface analysis of both com­pounds have been carried out.

Accepted 15 October 2019

Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[seleno­bis­(4,1-phenyl­ene)]bis­[3-(4-chloro­phen­yl)prop-2-en-1-one]

In the title organoselenium com­pound, the C—Se—C angle is 99.0 (2)°, with the dihedral angle between the planes of the attached benzene rings being 79.1 (3)°.

Accepted 14 October 2019

Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxo­ethyl benzoate

The title com­pound, 2-(4-nitro­phen­yl)-2-oxoethyl benzoate, is relatively planar with the two aromatic rings being inclined to each other by 3.09 (5)°.

more ...
Journal logoActa Crystallographica Section F
Acta Crystallographica
Section F
STRUCTURAL BIOLOGY COMMUNICATIONS

Accepted 5 October 2019

Structural analysis of free and liganded forms of the Fab fragment of a high-affinity anti-cocaine antibody, h2E2

Ths structure of the Fab fragment of the high-affinity anti-cocaine antibody h2E2 is reported both as the free Fab and in complex with the cocaine metabolite benzoylecgonine.

Accepted 25 September 2019

Major conformational changes in the structure of lysozyme obtained from a crystal with a very low solvent content

An alternately folded structure of orthorhombic lysozyme obtained from crystals grown at pH 5.5 with 26% solvent content is described.

Accepted 1 September 2019

Automatic annotation of protein residues in published papers

An annotation tool is presented that automatically locates amino-acid residues in published papers and matches them to protein structures within the paper. These matches can be provided in context or in a searchable format in order for researchers to better use the existing and future literature.
Journal logoJournal of Applied Crystallography Journal of Applied
Crystallography

Accepted 15 October 2019

Mercury 4.0: From visualization to analysis, design and prediction

An overview of Mercury 4.0, which is now a powerful analysis, design and prediction platform that acts as a hub for the entire CSD software suite.

Accepted 9 October 2019

α-Nickel sulfate hexahydrate crystals: relationship of growth condition, crystal structure and properties

Single Crystal Neutron diffraction, Raman, Thermogravimetric and Microhardness studies are performed on two α-Nickel sulfate hexahydrate crystals grown under different conditions. Relation between the growth conditions, crystal structure and crystal properties elucidated.

Accepted 28 September 2019

Fast fitting of reflectivity data of growing thin films using neural networks

Artificial neural networks trained with simulated data are shown to correctly and quickly predict film parameters from experimental X-ray reflectivity curves.

Accepted 27 September 2019

Graphical user interface for the program FraGen

A Python graphical user interface (GUI) is designed for FraGen, a real-space structure determination program. With this GUI, users can prepare input files for FraGen easily, and visually check, evaluate and screen the resulting structure models saved in the output files generated by FraGen.

Accepted 22 September 2019

Simultaneous X-ray radiography and diffraction topography imaging applied to silicon for defect analysis during melting and crystallization

A setup for simultaneous time-resolved X-ray radiography and diffraction topography imaging is presented. It is used to study defect generation and growth mechanisms during heating, solidification and cooling of a silicon crystal.

Accepted 18 September 2019

X-ray back-diffraction: can we further increase the energy resolution by tuning the energy slightly below that of exact backscattering?

X-ray back-diffraction (XBD) corresponding to the condition where the energy can be tuned slightly below that of exact backscattering (labeled residual XBD) has been characterized to check whether under this extreme condition the energy resolution can be further improved.


Accepted 10 September 2019

The dynamical theory of diffraction in a crystal modulated by a surface acoustic wave in the case of spatially restricted X-ray beams

The dynamical theory of X-ray diffraction in a crystal modulated by a surface acoustic wave has been developed for spatially restricted beams. This approach allows one to calculate reciprocal-space maps and their vertical and lateral cross sections.

Accepted 2 September 2019

FXD-CSD-GUI: a graphical user interface for the X-ray-diffraction-based determination of crystallite size distributions

A graphical interface to the Python module fxdcsd, which analyses crystallite size distributions via Bragg intensities measured with two-dimensional detectors, is described.

Accepted 30 August 2019

DatView: a graphical user interface for visualizing and querying large data sets in serial femtosecond crystallography

DatView is a new graphical user interface for simplifying analysis by facilitating plotting parameters and exporting selections from large serial crystallography data sets.
Journal logoJournal of Synchrotron Radiation Journal of
Synchrotron Radiation

Accepted 7 October 2019

X-ray diffraction measurement of a single nanometre-sized particle levitated in air by an optical-trap sample holder


Accepted 5 October 2019

A von Hamos-type hard X-ray spectrometer at the Petra III beamline P64

The design and performance of the high-resolution wavelength-dispersive multi-crystal von Hamos-type spectrometer at PETRA III beamline P64 are described.

Accepted 5 October 2019

Time-resolved X-ray absorption spectroelectrochemistry of redox active species in solution.

X-ray absorption spectra can be recorded at different points in time during a cyclic voltammetry experiment. This time-resolved X-ray spectroelectrochemistry technique can be used to probe transient species formed at an electrode in solution.

Accepted 28 September 2019

Improved calibration of area detectors using multiple placements

Area detector calibration can be improved greatly by translating the detector to multiple distances from the sample.

Accepted 27 September 2019

Confined-walking mode for an elliptical polarized undulator and its application

A new walking-mode for an elliptical polarized undulator is introduced to save machine-study time for feed-forward scanning.

Accepted 26 September 2019

Transmission measurement at the Bernina branch of the Aramis Beamline of SwissFEL

The transmission of the optical components of the Bernina branch of the Aramis beamline at SwissFEL has been measured with an X-ray gas monitor from DESY and compared with a PSI gas detector upstream of the optical components. The transmission efficiencies of the mirrors and the various other in-beam components were evaluated and compared with theoretical calculations.

Accepted 23 September 2019

Coherence properties of the high-energy fourth-generation X-ray synchrotron sources

Coherence properties of the fourth-generation high-energy storage rings with low-emittance values are discussed.

Accepted 21 September 2019

Light source based on a 100 mm-long monolithic undulator magnet with a very short 4 mm-period length


Accepted 20 September 2019

Mapping data between sample and detector conjugated spaces in Bragg coherent diffraction imaging

A framework for Bragg coherent X-ray diffraction imaging simulations is prsented, including MATLAB scripts for easy mapping between the different coordinate frames involved. Using a generalized geometry, this framework is easily adapted to any beamline configuration.

Accepted 16 September 2019

A mail-in and user facility for X-ray absorption near-edge structure: the CEI-XANES laboratory X-ray spectrometer at the University of Washington

A new dual user-present and mail-in X-ray absorption near-edge structure (XANES) facility at the University of Washington is reported and the scope of interplay of synchrotron radiation and tabletop X-ray spectroscopy is discussed.

more ...
Journal logoIUCrData
IUCrData

Accepted 11 October 2019

1-Iso­butyl-8,9-dimeth­oxy-3-phenyl-5,6-dihidro­imidazo[5,1-a]isoquinolin-2-ium chloride

The title compound was synthesized by condensation and cyclization of α-benzoyl­amino-γ-methyl-N-[2-(3,4-di­meth­oxy­phen­yl)eth­yl]valeramide in the presence of phosphoryl chloride (Bischler–Napieralski reaction).

Accepted 10 October 2019

Decacarbon­yl(μ-ethyl­idenimino-1κN:2κC)-μ-hydrido-triangulo-triosmium(3 OsOs)

The crystal structure of a new triosmium carbonyl complex containing bridging ethyl­idenimino and hydrido ligands is reported. A relatively high-yield synthesis was accomplished with the use of a triazine starting material and microwave heating.

Accepted 8 October 2019

4-Amino-5-{[cyclo­hex­yl(meth­yl)amino]­meth­yl}iso­phthalo­nitrile

In the crystal structure of 4-amino-5-{[cyclo­hex­yl(meth­yl)amino]­meth­yl}isophthalo­nitrile, inter­molecular N—H⋯N hydrogen-bond inter­actions are observed.


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