Crystal structure, electrochemical and spectroscopic investigation of mer-tris­[2-(1H-imidazol-2-yl-κN³)pyrimidine-κN¹]ruthenium(II) bis­(hexa­fluorido­phosphate) trihydrate

The first example of a homoleptic Ru^II complex with heteroaryl-imidazoles is reported in the meridional stereochemistry, exclusively. The supra­molecular hydrogen-bonded network reveals mutual N—H⋯N bonds between adjacent complexes.

Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenyl­sulfonyl-6H-thieno[3,2-c]carbazole

Intra­molecular C—H⋯O hydrogen bonds involving the sulfone O atoms and the carbazole moiety result in two S(6) rings. In the crystal, mol­ecules are linked via pairs of C—H⋯O hydrogen bonds forming inversion dimers with an (12) graph-set motif.

A new crystal form and anti­microbial activity of (E)-1-[3-(2-hy­droxy­benzyl­idene­amino)­phen­yl]ethanone

In the ortho­rhom­bic crystal form, the mol­ecules are linked by weak C—H⋯O hydrogen bonds into supra­molecular chains propagating along the b-axis direction.

Two tris­(3,5-disubstituted phen­yl)phosphines and their isostructural P^V oxides

The crystal structures of two bulky tri­aryl­phosphines of emerging inter­est in coordination chemistry and catalysis have been determined, and the syntheses and crystal structures of their corresponding oxides are reported. Each oxide is isostructural to its corresponding phosphine.

Racemic mefloquinium chloro­difluoro­acetate: crystal structure and Hirshfeld surface analysis

The L-shaped cation in the title salt arises from a nearly orthogonal disposition of the piperidin-1-ium ring with respect to the piperidin-1-ium group. Supra­molecular chains arise in the crystal as a result of O—H⋯O and N—H⋯O hydrogen bonding.

Crystal structure of 1-ethyl-3-(2-oxo-1,3-di­thiol-4-yl)quinoxalin-2(1H)-one

A new quinoxalin-derived ene-di­thio­carbonate was synthesized and structurally analysed. The synthetic procedure and the compound's spectroscopic and analytical characterization are reported.

Spontaneous enanti­omorphism in poly-phased alkaline salts of tris­(oxalato)ferrate(III): crystal structure of cubic NaRb₅[Fe(C₂O₄)₃]₂

The phenomenon of spontaneous resolution of enanti­omers occurs during the crystallization of the sodium and rubidium double salts of the transition metal complex tris­(oxalato)ferrate(III).

Crystal structure of (E)-N'-[1-(4-amino­phen­yl)ethyl­idene]-2-hy­droxy-5-iodo­benzohydrazide methanol monosolvate

The synthesis and crystal structure of a new N-substituted hydrazide are reported. In the crystal packing, O—H⋯O and N—H⋯O hydrogen bonds predominate together with π–π stacking inter­actions.

Crystal structure of di­ethyl {2,2,2-tri­chloro-1-[2-(1,3-dioxo-2,3-di­hydro-1H-isoindol-2-yl)-4-methyl­pentanamido]­eth­yl}phospho­nate

The crystal structure of the inter­mediate product of the synthesis of phospho­rylated 5-amino-1,3-oxazol-4-yl­phospho­nic acid derivatives is reported.

Crystal structures of sodium-, lithium-, and ammonium 4,5-di­hydroxy­benzene-1,3-di­sulfonate (tiron) hydrates

The first solid-state structures of the Na⁺, Li⁺, and NH₄⁺ salts of the tiron dianion are reported. The structures reveal significant changes in local and long-range ionic inter­actions with variation of the cation, with consequences for fields as disparate as bioinorganic chemistry and fuel cell technologies.

Crystal structure and Hirshfeld surface analysis of (Z)-4-(4-hy­droxy­benzyl­idene)-3-methyl­isoxazol-5(4H)-one

In the crystal of the title compound, mol­ecules stack head-to-tail in columns along the b-axis direction, and are linked by offset π–π inter­actions [inter­centroid distances of 3.676 (1) and 3.723 (1) Å].

Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis­(3,4,5-tri­meth­oxy­phen­yl)piperidinium chloride

The title compound was synthesized by a one-pot Mannich condensation reaction. In the crystal, centrosymmetric dimers are linked into layers parallel to (011) by N—H⋯Cl and C—H⋯Cl hydrogen bonds. A Hirshfeld surface analysis indicates that O—H (20.5%) inter­actions make the largest contribution to the crystal packing.

Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chloro­phen­yl)-1-(3,4-di­meth­oxy­phen­yl)prop-2-en-1-one

In the crystal, mol­ecules are linked by C—H⋯O hydrogen contacts, enclosing an (14) ring motif, and by a further C—H⋯O hydrogen contact, forming a two-dimensional supra­molecular structure extending along the direction parallel to the ac plane.

Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-di­methyl­phen­yl)-4-(4-meth­oxy­phen­yl)naphthalene

In the title naphthalene derivative, the mean plane of the naphthalene ring system makes dihedral angles of 65.24 (12)° with the di­methyl­phenyl ring and 55.82 (12)° with meth­oxy­phenyl ring. The latter two rings are inclined to each other by 59.28 (14)°.

Crystal structure and Hirshfeld surface analysis of 2,4-di­amino-6-methyl-1,3,5-triazin-1-ium tri­chloro­acetate monohydrate

In the crystal structure, the cations form hydrogen-bonded zigzag chains through centrosymmetric cyclic (8) N—H⋯N associations while the water mol­ecule acts as a double acceptor, linking the cations of the chain peripherally through amine N—H⋯O hydrogen bonds, closing cyclic (8) motifs, and as a double O—H⋯O donor, linking the anions, giving an overall three-dimensional structure.

Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3-cyclo­hexa­nebis(methyl­ammonium): [3-(aza­niumylmeth­yl)cyclo­hex­yl]methanaminium dinitrate

In the organic cation of the title salt, the cyclo­hexane ring is in chair conformation with the two methyl­ammonium substituents in the equatorial positions. The crystal structure features extensive hydrogen-bonding inter­actions.

Reinvestigation of the crystal structure of Ca₂Ce₈(SiO₄)₆O₂ apatite by Rietveld refinement

The lattice parameters of apatite-type Ca₂Ca₈(SiO₄)₆O₂ determined from X-ray powder diffraction data are inconsistent with those found in the literature for the same type of material. Hence the structure was redetermined and compared with previously published data.

Crystal structure and theoretical study of (2E)-1-[4-hy­droxy-3-(morpholin-4-ylmeth­yl)phen­yl]-3-(thio­phen-2-yl)prop-2-en-1-one

The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming wave-like layers. C—H⋯π inter­actions involving the benzene rings and the methyl­ene hydrogen atoms of the morpholine rings are observed between the layers.

Crystal structures of (aceto­nitrile-κN)tris­(pyridine-4-thio­amide-κN)bis­(thio­cyanate-κN)cobalt(II) aceto­nitrile disolvate and tetra­kis­(pyridine-4-thio­amide-κN)bis­(thio­cyanate-κN)nickel(II) methanol penta­solvate

The crystal structures of the title compounds consist of discrete octa­hedral complexes that are linked by inter­molecular hydrogen bonding between the complexes and additional solvate mol­ecules into three-dimensional network structures.

Crystal structure of (2,2′-bi­pyridine-κ²N,N′)-trans-bis­(tert-butyl­dimethyl­sil­yloxy)-cis-dioxidomolybdenum(VI)

In the title compound, [(^tBuSiMe₂O)₂MoO₂(2,2′-bi­pyridine)], the Mo^VI atom has a distorted octa­hedral environment with the sil­oxy substituents occupying the trans positions.

Crystal structure of (E)-2-(tert-butyl­amino)-4-(tert-butyl­imino)­naphthalen-1(4H)-one

The title compound is the first example of a naphtho­quinone imine derivative crystallizing in the 4-imine/2-amine tautomeric form having bulky tert-butyl substituents at the N atoms.

Crystal structure of homodinuclear platinum complex containing a metal–metal bond bridged by hydride and phosphide ligands

The hydrido and phosphido ligands bridge the two Pt^II atoms to form the dinuclear complex, in which both Pt^II atoms are in a distorted square-planar arrangement.

Structure of copper(II) complexes grown from ionic liquids – 1-ethyl-3-methyl­imidazolium acetate or chloride

Crystals of four new copper(II) complexes containing Cu₂(AcO)₄ paddle-wheel units and 1-ethyl-3-methyl­imidazolium cations have been grown from ionic liquid–water mixtures and characterized by X-ray analysis. Two of the synthesized complexes are one-dimensional coordination polymers with anionic chains and counter-ions between them.

M₄Au₁₂Ag₃₂(p-MBA)₃₀ (M = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure

The synthesis and structure of mixed gold/silver M₄Au₁₂Ag₃₂(p-MBA)₃₀ bimetallic monolayer-protected clusters is reported and compared to that of silver M₄Ag₄₄(p-MBA)₃₀ monolayer-protected clusters (M = Na, Cs).

Crystal structure and Hirshfeld surface analysis of 4-[4-(1H-benzo[d]imidazol-2-yl)phen­oxy]phthalo­nitrile monohydrate

In the crystal, strong O—H⋯N hydrogen bonds link the mol­ecules into supra­mol­ecular chains propagating along the c-axis direction.

Crystal structure of cis-[1,2-bis­(di­phenyl­phosphan­yl)ethene-κ²P,P′]di­chlorido­platinum(II) chloro­form disolvate: a new polymorph

A third monoclinic polymorph of the title compound is described. In the crystal, it exhibits C—H⋯Cl hydrogen bonds and face-on Cl⋯π inter­actions involving the chloro­form disolvate mol­ecules. Inter­molecular weak offset π–π inter­actions are also present between the aromatic rings of the ligands.

Crystal structure and Hirshfeld surface analysis of N-[(2-hy­droxy­naphthalen-1-yl)(3-methyl­phen­yl)meth­yl]acetamide

This compound crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In the crystal, the A and B mol­ecules stack head-to-tail in columns along the b-axis direction.

Crystal structures of the triple perovskites Ba₂K₂Te₂O₉ and Ba₂KNaTe₂O₉, and redetermination of the double perovskite Ba₂CaTeO₆

The triple perovskites Ba₂K₂Te₂O₉ and Ba₂KNaTe₂O₉ crystallize in the 6H-BaTiO₃-type of structure, whereas Ba₂CaTeO₆ represents a double perovskite (cubic elpasolite structure type).

Ge_0.57Ti_0.43O₂: a new high-pressure material with rutile-type crystal structure

Ge_0.57Ti_0.43O₂ adopts the rutile structure type with Ge and Ti sites disordered on one position.

Crystal structure of 2-[2-(pyridin-3-yl)diazen-1-yl]aniline

In the crystal structure of the title compound the mol­ecules are coplanar and are linked into helical chains via N—H⋯N hydrogen bonding between one of the amino H atoms and the pyridine N atoms.

Crystal structure of the tetra­meth­yl(pheneth­yl)cyclo­penta­dienylmolybdenumtri­carbonyl dimer

The structure of the dimer bis­{tricarbon­yl[η⁵-tetra­meth­yl(pheneth­yl)cyclo­penta­dien­yl]molybdenum}(Mo—Mo), [Mo₂(C₁₇H₂₁)₂(CO)₆], at 102 K has triclinic (P-1) symmetry. The Mo—Mo bond length is 3.2773 (3) Å, a value slightly above the mean value for all [CpMo(CO)₃]₂ compounds listed in the CSD and slightly below the mean for [Cp*Mo(CO)₃]₂ complexes.

Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-di­phenyl­propan-2-yl­idene)hydrazin­yl]-5-nitro-2-oxido­benzene­sulfonate dihydrate

The title compound has a nonplanar conformation. In the crystal, the anions are linked to the cations and the water mol­ecules by N—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network. Face-to-face π–π stacking inter­actions are also observed.

Synthesis, crystal structure and Hirshfeld surface analysis of tetra­aqua­bis­(isonicotinamide-κN¹)cobalt(II) succinate

In the title Co^II complex, both the cation and succinate anion are located about individual inversion centres. In the crystal, the ions are linked via O—H⋯O and N—H⋯O hydrogen bonds, forming a three-dimensional framework.

Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-(adamantan-1-yl)-2-oxoeth­yl]pyridin-4-iminium bromide

The asymmetric unit of the title pyridiniminium halide salt comprise of one cation and one anion. In the crystal, mol­ecules are linked by N—H⋯Br and C—H⋯O hydrogen bonds, C—H⋯π inter­actions, and π–π inter­actions into layers. The inter­molecular inter­actions in the crystal structure are qu­anti­fied by Hirshfeld surface analysis.

Crystal structure and Hirshfeld surface analysis of 3,3′,3′′-[(1,3,5-triazine-2,4,6-tri­yl)tris­(­oxy)]tris­(5,5-di­methyl­cyclo­hex-2-en-1-one)

The three cyclo­hexenone rings of the title compound adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional network.