Synthesis, crystal structure and Hirshfeld surface analysis of bis­(acetyl­acetonato-κ²O,O′)(2-amino-1-methyl-1H-benzimidazole-κN³)copper(II)

A compound of composition [Cu(C₅H₇O₂)₂(C₈H₉N₃)] was obtained. In the crystal, the Cu^II ion exhibits a square-pyramidal geometry with the ligands (two acetyl­acetone and one 2-amino-1-methyl­benzimidazole). Hirshfeld surface analysis was used to investigate the inter­molecular inter­actions.

Crystal structure of p-xylene@silicalite-1

In order to observe the maximum adsorption amount and arrangement state of p-xylene mol­ecules in a microporous single-crystal of silicalite-1 (SL-1), single-crystal X-ray diffraction analysis was performed.

Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-hepta­fluoro-2-(3-[(2,3,3,4,4,5,5-hepta­fluoro­cyclo­penten-1-yl)­oxy]-2-{[(2,3,3,4,4,5,5-hepta­fluoro­cyclo­penten-1-yl)­oxy]meth­yl}-2-methyl­prop­oxy)cyclo­pentene

In the title compound, a central sp³-hybridized carbon atom is decorated with three hepta­fluoro-2-meth­yloxy(cyclo­pent-1-ene) arms and a methyl group. The primary packing is determined by C—F⋯F—C inter­actions, forming [001] chains, which are consolidated via weaker C—F⋯F—C and C—H⋯F—C contacts.

Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(di­phenyl­amino)phen­yl]-1-[4-(prop-1-yn-2-yl­oxy)phen­yl]prop-2-en-1-one

The mol­ecule adopts an s-cis conformation with respect to the C=O and C—C bonds of the chalcone bridge.

Synthesis and crystal structure of anti-10-(4-cyano­phen­yl)-10,11,22,23-tetra­hydro-9H,21H-5,8:15,12-bis­(metheno)[1,5,11]tri­aza­cyclo­hexadecino[1,16-a:5,6-a′]di­indole di­chloro­methane monosolvate

The title compound consists of one anti-4-(1⁹H,5⁹H-3-aza-1,5(3,9)-dicarbazola­cyclo­octa­phane-3-yl)benzo­nitrile (host mol­ecule) and one di­chloro­methane solvate mol­ecule. The host mol­ecule adopts an anti configuration, in which two carbazole rings are partially overlapped, forming an intra­molecular π–π inter­action. In the crystal, the mol­ecules are cross-linked via inter­molecular host–host and host–guest C—H⋯π inter­actions, forming a three-dimensional network.

Crystal structure of luliconazole

The crystal structure of luliconazole (LCZ) has been determined. The di­thiol­ane ring adopts an envelope conformation. In the crystal, two inter­molecular C—H⋯N hydrogen bonds are observed.

Synthesis, crystal structure and thermal properties of poly[di-μ-bromido-(μ-2,5-di­methyl­pyrazine)cadmium(II)]

In the title compound, the cadmium cations are octa­hedrally coordinated by four bromide anions and two 2–5-di­methyl­pyrazine ligands and linked into chains via pairs of μ-1,1-bridging Br⁻ anions that are further connected into layers by the bridging 2,5-di­methyl­pyrazine coligands.

Crystal structure and Hirshfeld surface analysis of the layered hybrid metal halide poly[bis­(2-iodoethyl­ammonium) [di-μ-iodido-di­iodido­germanate(II)]]

The crystal structure of the title compound contains infinite inorganic two-dimensional layers formed by [GeI₆]⁴⁻ octa­hedra. These layers are inter­leaved with the organic 2-iodo­ethyl­ammonium cations.

Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole

Crystals of a multi-aromatic substituted 1,2,3-triazole have an extensive hydrogen-bonding network with two water and two aceto­nitrile mol­ecules participating in the structure. The compound is a dimer serving as a starting material for higher oligomers and mol­ecules featuring extensive functionality.

Crystal structure of catena-poly[bis­(N,O-di­methyl­hydroxyl­ammonium) [di-μ-bromido-di­bromido­stannate(II)]]

The hybrid perovskite (C₂H₈NO)₂[SnBr₄] features polymeric inorganic layers formed by corner-sharing {SnBr₆} octa­hedra, which alternate with the organic cations.

Syntheses, structures and anti­cancer activities of Cu^II and Zn^II complexes containing 1,1′-[(3-fluoro­phen­yl)methyl­ene]bis­[3-(3-fluoro­phen­yl)imidazo[1,5-a]pyridine]

The Cu^II and Zn^II complexes containing 1,1′-[(3-fluoro­phen­yl)methyl­ene]bis­[3-(3-fluoro­phen­yl)imidazo[1,5-a]pyridine] show potential as cancer treatment agents. The crystal-structure determination of the Cu^II complex confirms a distorted tetra­hedral N₂Cl₂ coordination set for the Cu^II atom.

Crystal structure and Hirshfeld surface analysis of supra­molecular aggregate of 2,2,6,6-tetra­methyl­piperidin-1-ium bromide with 1,2,3,4-tetra­fluoro-5,6-di­iodo­benzene

The asymmetric unit of the title compound contains one 2,2,6,6 tetra­methyl­piperidine-1-ium cation, one 1,2,3,4-tetra­fluoro-5,6-di­iodo­benzene mol­ecule, and one uncoordinated bromide anion. In the crystal, the bromide anions link the 2,2,6,6-tetra­methyl­piperidine mol­ecules by inter­molecular C—H⋯Br and N—H⋯Br hydrogen bonds, leading to dimers, with the coplanar 1,2,3,4-tetra­fluoro-5, 6-di­iodo­benzene mol­ecules filling the space between them.

Synthesis, crystal structure and properties of catena-poly[[bis­(4-methyl­pyridine-κN)cobalt(II)]-di-μ-thio­cyanato-κ²N:S;κ²S:N], which shows a rare coordination geometry

In the crystal structure of the title compound, Co(NCS)₂(C₆H₇N)₂ (C₆H₇N = 4-methyl­pyridine), the Co^II cations are in an alternating octa­hedral all-trans and cis-cis-trans coordination and linked into corrugated chains by pairs of μ-1,3 bridging thio­cyanate anions.

Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetra­aqua­bis­{2-[(5-methyl-1,3,4-thia­diazol-2-yl)sulfan­yl]acetato-κO}cobalt(II)

The mol­ecular and crystal structure of the tetra­aqua­bis­{2-[(5-methyl-1,3,4-thia­diazol-2-yl)sulfan­yl]acetato}­cobalt(II) complex were studied and Hirshfeld surfaces and fingerprint plots were generated to investigate the various inter­molecular inter­actions.

Crystal structure and Hirshfeld surface analysis of N-(4-nitro­phen­yl)-2-(piperidin-1-yl)acetamide (lidocaine analogue)

The substituents on the phenyl ring are rotated slightly out of the mean plane of the ring while the piperidine moiety is nearly perpendicular to that plane. In the crystal, C—H⋯O hydrogen bonds form chains of mol­ecules extending along the c-axis direction, which are linked by C=O⋯π(ring) inter­actions. A Hirshfeld surface analysis showed the majority of inter­molecular inter­actions to be H⋯H contacts while O⋯H/H⋯O contacts are the second most numerous.

Crystal structures of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13RS,14SR,15SR,16RS)-13-acet­oxy-16-benzyl­oxy-15-hy­droxy-7-meth­oxy­meth­oxy-3-oxo-11,15,18,18-tetra­methyl-2,4-dioxa­tetra­cyclo[12.3.1.0^1,5.0^6,11]octa­decan-10-yl benzoate and its 13-epimer

The crystal structures of a fused tetra­cyclic benzoate and its epimer obtained in synthetic study of Paclitaxel are described. The corresponding ring conformations in both tetra­cycles are similar; however, one epimer shows two orientational disorders and while none occurs for the other. In each crystal, pairs of inter­molecular O—H⋯O hydrogen bonds connect the mol­ecules into inversion dimers. The dimers are further linked by weak inter­molecular C—H⋯O and/or C—H⋯π inter­actions.

A new hydrated crystalline form of N-[(E)-(4-hy­droxy­phen­yl)methyl­idene]-1H-1,2,4-triazol-3-amine and its anti­fungal activity

The synthesis, crystal structure, Hirshfeld surface analysis, and anti­fungal assessment of a new monohydrated Schiff base with a triazole moiety are reported.

Crystal structure of di-μ-acetato-κ⁴O:O′-bis­{(acetato-κ²O,O′)tetra­aqua­[1-(pyridin-2-yl­methyl­idene-κN)-2-(pyridin-2-yl-κN)hydrazine-κN¹]lanthanum(III)} dinitrate hemihydrate

In the title Schiff base binuclear lanthanum(III) complex, the two metal ions have the same environment and the La^III ion is coordinated by three soft nitro­gen atoms from the Schiff base ligand, four hard oxygen atoms from carboxyl­ate co-ligands and two water oxygen atoms. Each La^III ion is nine coordinate and its environment is best described as a tricapped trigonal–prismatic geometry.