Synthesis, crystal structure and thermal behavior of tetra­kis­(3-cyano­pyridine N-oxide-κO)bis­(thio­cyanato-κN)cobalt(II), which shows strong pseudo­symmetry

The crystal structure of the title compound consists of discrete complexes in which the Co^II cations are octa­hedrally coordinated and show strong pseudosymmetry.

Synthesis and crystal structure of catena-poly[cobalt(II)-di-μ-chlorido-μ-pyridazine-κ²N¹:N²]

In the crystal structure of the title compound, the cobalt cations are octa­hedrally coordinated by pairs of μ-1,1-bridging chloride anions and bridging pyridazine ligands and linked into chains propagating along the crystallographic b-axis direction.

Synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of ethyl 1-(4-fluoro­phen­yl)-4-[(4-fluoro­phen­yl)amino]-2,6-di­phenyl-1,2,5,6-tetra­hydro­pyridine-3-carboxyl­ate

The one-pot synthesis, crystal structure, Hirshfeld surface analysis, DFT and NBO study of a highly functionalized tetra­hydro­pyridine are reported.

Crystal structure, Hirshfeld surface analysis, inter­action energy and energy framework calculations, as well as density functional theory (DFT) com­putation, of methyl 2-oxo-1-(prop-2-yn­yl)-1,2-di­hydro­quinoline-4-carboxyl­ate

In the crystal of the title com­pound, C—H⋯O hydro­gen bonds link the mol­ecules, enclosing (10) and (16) ring motifs, into layers almost parallel to the bc plane. The layers are further connected by π–π stacking inter­actions.

Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia­zol-5-yl)ethan-1-one

In the crystal, pairs of mol­ecules are linked by N—H⋯N hydrogen bonds, forming (8) ring motifs. Dimers are connected by N—H⋯O hydrogen bonds, forming layers parallel to the (102) plane. These layers are connected by C—H⋯π and C=O⋯π inter­actions, consolidating the mol­ecular packing.

Crystal structure and Hirshfeld surface analysis of 3-eth­oxy-1-ethyl-6-nitro­quinoxalin-2(1H)-one

The asymmetric unit of the title compound consists of two mol­ecules differing to a small degree in their conformations. In the crystal, layers of mol­ecules are connected by weak C—H⋯O hydrogen bonds and slipped π-stacking inter­actions.

Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate

In the salt 3-(4-fluoro­phen­yl)-2-formyl-7-methyl­imidazo[1,2-a]pyridin-1-ium chloride monohydrate, water mol­ecules form an (8) motif parallel to the (100) plane by bonding with the chloride ions via O—H⋯Cl hydrogen bonds. The cations are connected along the b axis via N—H⋯O hydrogen bonds involving the O atoms of water mol­ecules.

Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di­methyl­phen­yl)-5-(4-nitro­phen­yl)-2H-1,2,3-triazole

In the crystal, the mol­ecules are connected by C—H⋯N hydrogen bonds and π–π stacking inter­actions, forming ribbons along the b-axis direction. Weak van der Waals inter­actions link these ribbons together, consolidating the crystal structure.

Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-meth­oxy-3-phenylpropane-1,2-diyl­idene)bis­(hydrazine-1-carbo­thioamide) di­methyl­formamide monosolvate

In the crystal of the title compound, mol­ecules are linked to each other and solvent di­methyl­formamide mol­ecules by N—H⋯S, N—H⋯O, C—H⋯O and C—H⋯S hydrogen bonds, forming a three dimensional network.

2,6-Di­bromo-3,4,5-tri­meth­oxy­benzoic acid

The previously unknown crystal structure of 2,6-di­bromo-3,4,5-tri­meth­oxy­benzoic acid was determined employing state-of-the-art Hirshfeld atom refinement and the crystal packing was analysed using Hirshfeld surface analysis.

Crystal structure of a 1:1 co-crystal of quabodepistat (OPC-167832) with 2,5-di­hydroxy­benzoic acid using microcrystal electron diffraction

A co-crystal of quabodepistat and 2,5-di­hydroxy­benzoic acid was obtained and the crystal structure was solved from microcrystal electron diffraction (MicroED) data.

Synthesis and crystal structure of silicon pernitride SiN₂ at 140 GPa

SiN₂ was synthesized from the elements at 140 GPa in a laser-heated diamond anvil cell. Crystal-structure determination (single-crystal synchrotron X-ray data) revealed that the title compound crystallizes in the pyrite structure type (space group Pa).

Synthesis, crystal structure, and Hirshfeld surface analysis of 3-ferrocenyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine

The multi-step synthesis, characterization, and structural examination (single-crystal X-ray diffraction and Hirshfeld surface analysis) of 3-ferrocenyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine (C₁₈H₁₆FeN₄), are reported. The supra­molecular characteristics, including π–π stacking and hydrogen bonding, are discussed, and a database exploration highlights the distinctive combination of mol­ecular components.

Synthesis and crystal structure of bis­(tert-butyl isocyanide-κC)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ⁴N]iron(II)

Mol­ecules of the title complex are centrosymmetric and the Fe—N bond lengths to the N atoms of the porphyrin ring indicate that the Fe^II atom is in the low-spin state.

Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis­(dicyanamido-κN¹)iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis

The solvothermal synthesis, crystal structure and Hirshfeld surface analysis of a new iron(II) complex containing dicyanamido and di(pyrimidin-2-yl)amine ligands are reported

Growth and characterization of a new inorganic metal–halide crystal structure, InPb₂Cl₅

A new solid-state inorganic compound, InPb₂Cl₅, was synthesized by melting InCl and PbCl₂ in a vacuum-sealed quartz ampoule. Bulk InPb₂Cl₅ was separated from PbCl2 and characterized by single-crystal X-ray diffraction.

Crystal structures of five compounds in the aluminium–ruthenium–silicon system

The crystal structures of five compounds in the Al–Ru–Si system with approximate compositions ∼Ru₁₆(Al_0.78Si_0.22)₄₇ (I), ∼Ru₉(Al_0.70Si_0.30)₃₂ (II), ∼Ru₁₀(Al_0.67Si_0.33)₄₁ (III), ∼Ru(Al_0.57Si_0.43)₅ (IV) and ∼Ru₂(Al_0.46Si_0.54)₉ (V) are presented. Notably, the crystal structure of (I) can be related to that of a cubic rational crystalline approximant to an icosa­hedral quasicrystal through crystallographic shear and then unit-cell twinning.

Crystal structure and Hirshfeld surface analysis of cyclo-tetra­bromido-1κ²Br,3κ²Br-tetra­kis­(μ₂-2-{[(pyridin-2-yl)meth­yl]amino}­ethane-1-thiol­ato-κ³N,S:S)tetra­mercury(II)

A macrometallacyclic mercury(II) complex [((HgL₂)(HgBr₂))₂], where HL = 2-{[(pyridin-2-yl)meth­yl]amino}­ethane-1-thiol, was synthesized and characterized by single-crystal X-ray diffraction and Hirshfeld analysis.

Co-crystal sustained by π-type halogen-bonding inter­actions between 1,4-di­iodo­perchloro­benzene and naphthalene

The formation of a co-crystal sustained by π-type halogen bonds involving 1,4-di­iodo­perchloro­benzene and naphthalene is reported.

Crystal structure of bis­{3-(3,4-di­meth­oxy­phen­yl)-5-[6-(pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II)–methanol–chloro­form (1/2/2)

The title compound, a charge-neutral bis­{5-(3,4-di­meth­oxy­phen­yl)-1,2,4-triazol-3-ato)-6-(pyrazol-1-yl)pyridine}iron(II) di­methanol di­chloro­form solvate, is a high-spin complex with a distorted pseudo­octa­hedral coordination environment of the metal ion. Due to the tapered shape and polar nature, the mol­ecules stack in one-dimensional columns that are bound by weak hydrogen bonds into layers, which, in turn, are arranged in a three-dimensional network without inter­layer inter­actions below van der Waals radii.

Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di­aqua­bis­(1-phenyl­propane-1,2-di­amine-κ²N,N′)nickel(II) dichloride dihydrate

The cation of the title compound exhibits point group symmetry , with the central Ni^II atom in a trans [N₄O₂] coordination environment.