Chloro­cobalt complexes with pyridyl­ethyl-derived di­aza­cyclo­alkanes

With cobalt(II) chloride, some piperazine- and homo-piperazine-derived ligands yield tetra- or penta­coordinate complexes. Observed variations in coordination number are ascribed as being related to chloride solvophobicity. Optical spectra are presented, while magnetism measurements indicate governance of the magnetism by zero-field splitting of the cobalt ion.

Crystal structures of two dioxomolybdenum complexes stabilized by salan ligands featuring phenyl and cyclo­hexyl backbones

Two cis-dioxomolybdenum complexes based on salan ligands with different backbones are reported. The salan ligands coordinate to the molybdenum center in a κ²N,κ²O fashion, forming a distorted octa­hedral geometry. These complexes crystallized as di­methyl­formamide and methanol solvated species.

Novel three-dimensional coordination polymer of 2-(1,3,5-tri­aza-7-phospho­niatri­cyclo­[3.3.1.1^3,7]decan-7-yl)ethanoic acid with silver(I) tetra­fluoro­borate

A three-dimensional coordination polymer of 2-(1,3,5-tri­aza-7-phospho­niatri­cyclo­[3.3.1.1^3,7]decan-7-yl)ethano­ate with silver(I) tetra­fluoro­borate was fully characterized.

Synthesis and crystal structure of poly[[bis­(aqua-κO)tetra­kis­(μ-4,4′-bi­pyridine-κ²N:N′)hexa­kis­(3-chloro­benzoato)-κ⁵O;κ²O:O′-tricobalt(II)] methanol disolvate]

The synthesis, crystal structure and properties of a novel ladder-chain Co^II coordination polymer constructed from 4,4′-bi­pyridine (4,4′-bipy) and m-chloro­benzoate (3-Clbenz), {[Co₃(4,4′-bipy)₄(3-Clbenz)₆(H₂O)₂]·2CH₃OH}_n, are reported.

Ciprofloxacin salt and salt co-crystal with di­hydroxy­benzoic acids

The crystal structure of a ciprofloxacin salt with 2,6-di­hydroxy­benzoic acid and a ciprofloxacin hydro­chloride salt co-crystal with 3,5-di­hydroxy­benzoic acid are reported.

Crystal structures of two Co(NCS)₂ urotropine coordination compounds with different Co coordinations

In the crystal structure of the title compounds, discrete complexes with different Co coordinations are observed, which are linked by inter­molecular hydrogen bonding into three-dimensional networks.

Synthesis and crystal structure of poly[[di-μ₃-tetra­thio­anti­monato-tris­[(cyclam)cobalt(II)]] aceto­nitrile disolvate dihydrate] (cyclam = 1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)

In the crystal structure of the title compound, the [SbS₄]³⁻ anions are linked by the Co(cyclam) complex cations into rings, which are further connected into layers that are linked by inter­molecular hydrogen bonding via the water solvate mol­ecules and are arranged in such a way that cavities are formed, in which the disordered aceto­nitrile solvate mol­ecules are located.

Crystal structures of 3-halo-2-organochalcogenylbenzo[b]chalcogenophenes

The structure of four benzo[b]chalcogenophenes are described. The presence of a phenyl­selanyl group at a vicinal position of bromide or iodine triggers a stabilizing intra­molecular orbital inter­action between a lone pair of electrons of a halogen atom and the anti­bonding σ*_(Se–C) orbital (n_halogen–σ*_(Se–C), resulting in the almost linear alignment of the halogen–selenium–carbon atoms that changes the conformation and also the three-dimensional packing.

Synthesis, crystal structure, Hirshfeld surface and void analysis of bis­(μ₂-4-amino­benzoato-κ²O:O′)bis­[bis­(4-amino­benzoato-κ²O,O′)di­aquathulium(III)] dihydrate

The asymmetric unit of the title compound comprises three 4-amino­benzoate ligands, two coordinated water mol­ecules, a thulium metal ion and a water mol­ecule of crystallization. The crystal structure features O—H⋯N, N—H⋯O, and O—H⋯O hydrogen-bonding inter­actions as well as C—H⋯π and off-set π–π stacking inter­actions. Hirshfeld surface analysis indicates that H⋯H contacts are the most significant contributors to the crystal packing.

Crystal structure of 1,1′,2,2′,4,4′-hexa­iso­propyl­magnesocene

The title compound was synthesized from the corresponding triiso­propyl­cyclo­penta­diene by treatment with n-butyl-sec-butyl­magnesium and crystallizes in the triclinic space group P with half a mol­ecule per asymmetric unit and a staggered arrangement of the cyclo­penta­dienide ligands.

Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromo­phen­yl)-6-oxo-1-phenyl-1,4,5,6-tetra­hydro­pyridine-3-carbo­nitrile

In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into dimers with an (16) ring motif. Further N—H⋯O and N—H⋯N hydrogen bonds connect the dimers into chains along the c-axis direction. C—Br⋯π and C=O⋯π inter­actions stabilize the mol­ecular packing, resulting in a three-dimensional network.

Crystal structures of N-[4-(tri­fluoro­meth­yl)phen­yl]benzamide and N-(4-meth­oxy­phen­yl)benz­amide at 173 K: a study of the energetics of conformational changes due to crystal packing

The conformations of two aryl amides have been determined experimentally in crystal structures using X-ray data and calculated with DFT methods for the isolated mol­ecules. Geometrical comparisons are made along with energy analyses of the inter­molecular inter­actions in the two crystal structures.

Single-crystal structure analysis of non-deuterated triglycine sulfate by neutron diffraction at 20 and 298 K: a new disorder model for the 298 K structure

A precise crystal-structure analysis using a neutron diffractometer with high-power neutron sources at the J-PARC facility has been performed on non-deuterated triglycine sulfate at 20 K and 298 K and a new double-potential-well disorder model for the O—H⋯O hydrogen bond in the 298 K structure is proposed.

Crystal structure of tris­(4,7-di­phenyl-1,10-phenanthroline-κ²N,N′)cobalt(III) tris­(hexa­fluoro­phosphate) monohydrate

The title compound acts as a potential photosensitizer in photodynamic therapy against tumoral cells. It co-crystallizes with one solvent mol­ecule of water. In the crystal, inter­molecular π–π stacking inter­actions, C—H⋯π, C—H⋯F, and O—H⋯F and inter­actions are present.

Distorted zinc coordination polyhedra in bis­(1-eth­oxy-2-{[(2-meth­oxy­eth­yl)imino]­meth­yl}propan-1-olato)zinc, a possible CVD precursor for zinc oxide thin films

The coordination polyhedra of the zinc atoms in the title complex display long Zn—O bonds as parts of distorted trigonal bipyramids and octa­hedra.

Crystal structure and Hirshfeld surface analysis of 2-oxo-2-phenyl­ethyl 3-nitroso-2-phenyl­imidazo[1,2-a]pyridine-8-carboxyl­ate

In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, generating (5) and (28) ring motifs. In addition, weak C—H⋯π and π-stacking inter­actions are observed.

Crystal structure of (7-{[bis­(pyridin-2-ylmeth­yl)amino-κ³N,N′,N′′]meth­yl}-5-chloro­quinolin-8-ol)di­bromidozinc(II)

In the title compound, the Zn^II atom has a distorted square-pyramidal coordination environment. The mol­ecular structure exhibits an intra­molecular O—H⋯N hydrogen bond. In the crystal, the mol­ecules are linked by inter­molecular C—H⋯Br hydrogen bonds, generating ribbon structures. These ribbons are linked though inter­molecular C—H⋯Br hydrogen bonds, forming a two-dimensional network sheet.

Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-meth­oxy­phen­yl)-6-oxo-1-phenyl-1,4,5,6-tetra­hydro­pyridine-3-carbo­nitrile

In the crystal, strong C—H⋯O and N—H⋯N hydrogen bonds form dimers with (14) and (12) ring motifs between adjacent mol­ecules along the c-axis direction. Inter­molecular N—H⋯O and C—H⋯O hydrogen bonds connect these dimers to form a three-dimensional network. In addition, C—H⋯π inter­actions and π–π stacking inter­actions help to stabilize the packing.

Crystal structures and Hirshfeld surface analysis of 5-amino-1-(4-meth­oxy­phen­yl)pyrazole-4-carb­oxylic acid and 5-amino-3-(4-meth­oxy­phen­yl)isoxazole

The title compounds feature O—H⋯O carb­oxy­lic-acid inversion dimers and N—H⋯N chains in their extended structures.