Effect of the size of halide ligands on the crystal structures of halide-bibridged polymers of HgX₂ with 4-ethyl­pyridine

Three pyridine-based halide-bibridged polymers have been synthesized and their structures determined. The effect of the size of the halides on the crystal structures has been investigated.

Weak hy­dro­gen bonding in the structures of three double-acyl­ated amino­anti­pyrines

The structures of three doubly-acyl­ated 4-amino­anti­pyrine com­pounds where the aryl substituent is varied are reported and analysed in terms of their relative conformation, inter­molecular inter­actions and overall packing. The com­pounds were crystallized using the encapsulated nanodroplet crystallization (ENaCt) protocol.

Structural insights into transition-metal–amino­diphosphine (PNP) com­plexes bearing [MCl_n(PNP)₂] (M = Co, Ru, Cr or Mo; n = 1 or 2) cores in the solid state

The mol­ecular structures of two novel cobalt amino­diphosphine (PNP) com­plexes are reported, featuring variation in the N-atom substituent. A Cambridge Structural Database (CSD) survey, along with a noncovalent inter­action (NCI) analysis of the analogous [TMCl_n(PNP)₂] (where TM = transition metal and n = 1 or 2) core, revealed an inverse correlation between the P—TM—P bite angles and N⋯TM contact distances.

Crystal structure, supra­molecular architecture and spectroscopic characterization of the Knoevenagel-type indole derivative (2E)-2-(1H-indol-3-yl­methyl­idene)-4,4-di­methyl-3-oxo­penta­nenitrile

The crystal structure of a Knoevenagel-type indole derivative reveals a supra­molecular framework stabilized by N—H⋯O hy­dro­gen bonds, π–π stacking and C≡N⋯H inter­actions. Complementary Hirshfeld surface analysis, inter­action energy calculations and spectroscopic studies provide a com­prehensive description of its structural and electronic features.

A binuclear lithium com­plex based on an ansa-bis­(1-aza­all­yl) ligand: synthesis, structure and catalysis for ring-opening polymerization of ɛ-cap­rolac­tone

A binuclear ansa-bis­(1-aza­all­yl) lithium com­plex was prepared by treating the di­imine [(2,6-Me₂C₆H₃)N=C(Ph)CH₂]₂SiPh₂ with lithium diiso­propyl­amide and was characterized by X-ray diffraction techniques. Density functional theory calculations were used to investigate the catalytic properties of the binuclear com­plex towards the ring-opening polymerization of ɛ-cap­ro­lac­tone and the com­plex showed good catalytic activity.

Structures and electronic properties of cobalt(II) selone coordination com­plexes

The structures of a cyclic seleno­urea ligand and two distorted tetra­hedral cobalt(II) chloride com­plexes are disclosed, along with their com­puted electronic properties and thermochemistry.

Single-crystal X-ray diffraction analysis and mechanistic implications of (2R*,3R*)-2-(2-phen­oxy­eth­yl)tetra­hydro­furan-3-yl acetate

To unambiguously determine the stereochemical outcome of a highly stereospecific rearrangement of epoxides into tetra­hydro­furans, single crystals of one of the products, (2R*,3R*)-2-(2-phen­oxy­eth­yl)tetra­hydro­furan-3-yl acetate, were grown and analyzed. Based on the crystal structure data, we were able to show that the contiguous stereocenters of this mol­ecule are in a syn configuration, and we now suggest with confidence a plausible mechanism for the rearrangement reaction.

Chloride salts of the antibacterial agent pazufloxacin: (H₃O)₂(Pzfx)₅Cl₇·10H₂O and (Pzfx)Cl·1.75H₂O·0.5C₂H₅OH

By recrystallization of pazufloxacinium mesylate from HCl solutions, two pazufloxacinium chlorides have been obtained and characterized by means of X-ray diffraction.

Crystal structures, thermal properties and inter­molecular inter­actions of new benzamide-based derivatives

The supra­molecular assemblies in two benzamide-based derivatives are stabilized by inter­molecular hy­dro­gen bonding between the amide groups. Strong directional connectivity provided by hy­dro­gen bonds joins mol­ecules into one-dimensional chains. Thermal analysis allowed us to propose a mechanism for the transformations of one of the derivatives on heating, including exothermic polymerization, amide-group abstraction and partial benzene abstraction.