X-ray structural insights and computational analysis of the compound 5-ethyl-4-[(4-morpholino­benzyl­idene)amino]-2,4-di­hydro-3H-1,2,4-triazole-3-thione

The mol­ecule of the title compound adopts a non-planar geometry. A significant feature is the puckered six-membered morpholine ring, which adopts a chair conformation. In the crystal, mol­ecules are linked through inter­molecular N—H⋯S hydrogen bonds, forming inversion-related dimers with an R²₂(8) ring motif.

Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thia­zol-2-yl)sulfan­yl]-1,3,4-thia­diazole

The title compound contains two biologically active heterocyclic rings, 1,3,4-thia­diazole and 1,3-thia­zole, connected via a sulfur atom. The packing is consolidated by non-classical inter­molecular C—H⋯N hydrogen bonds and π–π stacking inter­actions.

Crystal structure of tris­(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tri­carboxyl­ate

The structure of a 2-methyl-1H-imidazol-3-ium-trimesate compound was determined by single-crystal X-ray diffraction. The compound is mixture of protonated and deprotonated mol­ecules.

Crystal structure and Hirshfeld surface analysis of 5,5-di­fluoro-10-[5-(tri­methyl­sil­yl)furan-2-yl]-5H-4λ⁴,5λ⁴-di­pyrrolo­[1,2-c:2′,1′-f][1,3,2]di­aza­borinine

In the title compound, C₁₆H₁₇BF₂N₂OSi, the mol­ecular conformation is stabilized by an intra­molecular C—H⋯O hydrogen bond. In the crystal, mol­ecules are connected by C—H⋯π and π–π inter­actions, forming ribbons along the a-axis direction.

Crystal structure and Hirshfeld surface analysis of chlorido­(2,6-di­methyl­phenyl isocyanide)[N′-(2,6-di­methyl­phen­yl)-N-(pyridin-2-yl)carbamimido­yl]platinum(II)

The coordination geometry around the platinum atom is square-planar. In the crystal, dimers with R²₂(8) motifs, formed by pairs of N—H⋯N hydrogen bonds, are connect to each other through pairs of weak C—H⋯Cl inter­actions, forming a R²₂(16) motif and creating parallel ribbons along the [011] axis direction. The mol­ecular pairs are connected by C—H⋯π and π–π inter­actions, forming parallel ribbons along the b-axis direction.

Synthesis and crystal structure of catena-poly[[bis­(nitrato-κ²O,O′)strontium(II)]-di-μ-L-histidine-κ³O,O′:O;κ²O:O′]

The title mono-periodic coordination polymer features ten-coordinate Sr²⁺ ions, zwitterionic L-histidine ligands and nitrate anions.

Crystal structure and Hirshfeld surface analyses, crystal voids, inter­action energy calculations and energy frameworks of (E)-2-[(pyren-1-yl­methyl­idene)amino]­ethanol

The title compound contains a pyrene ring system consisting of four fused benzene rings arranged in a planar configuration. In the crystal, inter­molecular O—H⋯N hydrogen bonds link the mol­ecules into infinite chains along the c- axis direction. π–π stacking inter­actions between the benzene rings of adjacent mol­ecules help to consolidate the three-dimensional architecture.

Crystal structures of three 4-methyl­piperidinium salts (one as three polymorphs) with tetrahalogenidoaurate(III), halide and (in one case) di­chloro­iodate(I) counter-anions

The structures of three 4-methyl­pyridinium tetra­halogenidoaurate(III) halides, one also including a di­chloro­iodate(I) anion, are presented. The crystal packings involve hydrogen, halogen and coinage bonds, and display prominent substructure types involving the cations and halides or the anions alone.

Synthesis, crystal structure and Hirshfeld surface analysis of bis­[2-amino-5-(ethyl­sulfan­yl)-1,3,4-thia­diazol-3-ium] bis­(perchlorato-κO)bis­(picolinato-κ²N,O)copper(II)

The title copper(II) complex exhibits a distorted octa­hedral geometry in which the Cu^II cation is coordinated by the bidentate picolinate and monodentate perchlorate ligands. The crystal structure features a unique outer-sphere protonated thia­diazole cation inter­acting via hydrogen bonds. Hirshfeld surface analysis underscores the dominant role of O⋯H/H⋯O inter­actions in the crystal packing.

Crystal structures and Hirshfeld surface analyses of di­phenyl­methyl 2-(3,5-di­meth­oxy­phen­yl)acetate and di­phenyl­methyl 2-(3,4,5-tri­meth­oxy­phen­yl)acetate

The title compounds, C₂₃H₂₂O₄, (I), and C₂₄H₂₄O₅, (II), differ in the presence of a meth­oxy atom instead of a hydrogen atom between two meth­oxy groups at the phenyl ring, which greatly affects the mol­ecular conformations and the symmetries of the crystals.

Mol­ecular and crystal structure of 2,5-bis­[(4-fluoro­phen­yl)imino­meth­yl]furan

In the reported crystal structure, the central furan ring lies on a twofold rotation axis in space group C2/c with the furan ring and imine groups of adjacent mol­ecules participating in C—H⋯N inter­actions to give furan-ring-centered hydrogen-bonded chains extending along [010].

Synthesis, crystal structure and Hirshfeld surface analysis of 2-azido-N-(2,6-di­methyl­phen­yl)acetamide

The asymmetric unit of the title compound, C₁₀H₁₂N₄O, consists of two independent mol­ecules differing in the rotational orientation of the 2-azido­acetamido group.

Crystal structure and supra­molecular features of bis­{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]acetate}­tri­nitratolanthanum(III)

The crystal structure of a mononuclear 12-coordinate lanthanum(III) complex with a pyridinyl-1,2,4-triazole derivative is reported and discussed.

Syntheses and structures of dinuclear zinc(II) acetate-bridged coordination compounds with the aromatic Schiff base chelators N,N-di­methyl-2-[phen­yl(pyridin-2-yl)methyl­idene]hydrazine-1-carbo­thio­amide and N-ethyl-2-[phen­yl(pyridin-2-yl)methyl­idene]hydrazine-1-carbo­thio­amide

Both ligands bind to zinc in an N,N,S-tridentate manner and form centrosymmetric dimers via bridging by acetate moieties. Unexpectedly, we found three distinct modes of metal coordination from the acetate O atoms. These results are discussed in the context of the vital role of zinc in cell metabolism.

Synthesis and crystal structure analysis of bis­(benzo­thia­zole-2-thiol­ato-κS)(1,10-phen­anthroline-κ²N,N′)zinc(II)

The coordination complex [Zn(phen)(MBT)₂], which exhibits a distorted tetra­hedral geometry, was synthesized. Single-crystal X-ray analysis and Hirshfeld surface analysis revealed the presence of several inter­molecular C—H⋯N and C—H⋯π inter­actions.

Crystal structure and Hirshfeld surface analysis of 1-[2-(2-chloro­eth­oxy)eth­yl]-2-methyl-4-nitro-1H-imidazole

The crystal structure and a Hirshfeld surface analysis of 1-[2-(2-chloro­eth­oxy)eth­yl]-2-methyl-4-nitro-1H-imidazole are presented.

Crystal structure and Hirshfeld surface analyses, inter­action energy calculations and energy frameworks of methyl 2-[(4-cyano­phen­yl)meth­oxy]quinoline-4-carboxyl­ate

The crystal structure of new quinoline-4-carboxyl­ate derivative exhibits a range of weak inter­actions, which were assessed using Hirshfeld surface analysis and inter­action energy calculations to support the dominant significance of the dispersion forces.