The continuing transformation of Acta Crystallographica Section E and the launch of IUCrData

Crystal structure of catena-poly[N,N,N′,N′-tetra­methyl­guanidinium [(chlorido­cadmate)-di-μ-chlorido]]

The structure of the title salt, {(C₅H₁₄N₃)[CdCl₃]}_n, consists of infinite zigzag polyanionic ¹_∞[CdCl_4/2Cl_1/1]⁻ chains held together by tetra­methyl­guanidinium cations through N—H⋯Cl hydrogen bonds, leading to a layered structure parallel to (010).

Crystal structure of aqua­bis­(hepta­fluoro­butano­ato-κO)(1,10′-phenanthroline-κ²N,N′)copper(II)

The mol­ecular structure of a mononuclear Cu^II complex coordinated by hepta­fluoro­butanoic acid, 1,10-phenanthroline and a water mol­ecule is described.

Crystal structures of ethyl 6-(4-methyl­phen­yl)-4-oxo-4H-chromene-2-carboxyl­ate and ethyl 6-(4-fluoro­phen­yl)-4-oxo-4H-chromene-2-carboxyl­ate

The crystal structures of two chromone derivatives are described, one of which has two independent mol­ecules in the asymmetric unit. A comparison of the dihedral angles between the mean planes of the central chromone core with those of the substituents shows that each mol­ecule differs significantly from the others.

Crystal structure of μ-fluorido-bis­{(η⁴-cyclo­octa­diene)[hexa­fluorido­anti­monato(V)]platinum(II)} hexa­fluorido­anti­monate(V) hydrogen fluoride 0.75-solvate

In the cation of the title compound, [Pt₂(COD)₂F(SbF₆)₂]SbF₆·0.75HF, a fluorine atom bridges two platinum atoms. Each platinum atom is furthermore surrounded by a COD ligand and one fluorine atom of the octa­hedral SbF₆ anion.

Crystal structure of the coordination compound of tri­iodido­methyltin(IV) with 2,2′-bi­pyridine, MeSnI₃·bipy

The title complex is one of the few structurally characterized coordination compounds of an organotin(IV) trihalide with 2,2′-biypridine. Its distorted octa­hedral geometry shows a meridional arrangement of the I atoms and the methyl group is in-plane with the five-membered chelate ring. Directional inter­molecular inter­actions are restricted to weak I⋯H van der Waals contacts.

Crystal structure of poly[di­aqua­(μ-2-carb­oxy­acetato-κ³O,O′:O′′)(2-carb­oxy­acetato-κO)di-μ-chlorido-dicobalt(II)]

In the title coordination polymer, [Co(C₃H₃O₄)Cl(H₂O)]_n, the sixfold coordination environment of the Co^II atom consists of two O atoms from a chelating hydrogen malonate anion (HMal⁻), one O atom originating from a μ₂-bridging malonate ligand (HMal⁻), one O atom from a water mol­ecule and two μ₂-bridging Cl⁻ atoms, connecting neighbouring Co₂Cl₄ motifs into a two-dimensional polymer extending parallel to (001). Inter­layer O—H⋯O hydrogen bonds link the layers into a three-dimensional network.

Crystal structures of [Ln(NO₃)₃(μ₂-bpydo)₂], where Ln = Ce, Pr or Nd, and bpydo = 4,4′-bi­pyridine N,N′-dioxide: layered coordination networks containing 4⁴ grids

The crystal structures of poly[bis­(μ₂-4,4′-bi­pyridine N,N′-dioxide-κ²O:O′)trinitratocerium(III)] and its isostructural praseodymium and neodymium analogues feature a 4⁴ grid-like layered structure with inter­digitation of layers promoted by C—H⋯O inter­actions between nitrate anions and 4,4′-bi­pyridine N,N′-dioxide ligands.

Crystal structure of ethyl (1RS,6SR)-4-(2-methyl-1H-imidazol-4-yl)-2-oxo-6-(2,3,5-tri­chloro­phen­yl)cyclo­hex-3-ene-1-carboxyl­ate

The cyclo­hexenone ring in the title compound adopts an envelope conformation and in the crystal, mol­ecules are linked by N—H⋯O and C—H⋯N hydrogen bonds, forming ribbons of edge-fused rings propagating along [010].

Crystal structures of three complexes of zinc chloride with tri-tert-butyl­phosphane

The crystal structures of three complexes of zinc chloride with tri-tert-butyl­phosphane are reported.

Crystal structure of the thermochromic bis­(di­ethyl­ammonium) tetra­chlorido­cuprate(II) complex

The low-temperature structure of bis­(di­ethyl­ammonium) tetra­chlorido­cuprate is reported. The complex exhibits thermochromism and has a two-dimensional hydrogen-bonded network through N—H⋯Cl hydrogen bonds.

Investigations into the construction of the penta­substituted ring C of Neosurugatoxin – a crystallographic study

The mol­ecular conformations of three highly substituted cyclo­penta­[c]furans appear to correlate strongly with different intra­molecular O—H⋯O and C—H⋯O inter­actions.

Crystal structure of tris­(trans-1,2-di­amino­cyclo­hexane-κ²N,N′)cobalt(III) trichloride monohydrate

The first structure with coordinates of tris­(trans-1,2-di­amino­cyclo­hexa­ne)cobalt(III) chloride monohydrate in the space group I2d is reported.

Crystal structure of the co-crystal butyl­paraben–isonicotinamide (1/1)

The title 1:1 co-crystal, butyl­paraben–isonicotinamide [BPIN, butyl 4-hy­droxy­benzoate isonicotinamide (1/1)], crystallizes with one mol­ecule each of butyl­paraben and isonicotinamide. In the crystal, various BPN and ISN mol­ecules are linked via O—H⋯N, N—H⋯O and N—H⋯O=C hydrogen bonds, creating a layered structure.

Crystal structure of a new hybrid compound based on an iodido­plumbate(II) anionic motif

The inorganic part of the crystal structure of the 1-D hybrid compound (C₄N₂H₁₂)₂[PbI₅]I·H₂O contains corner-sharing [PbI₆]⁴⁻ octa­hedra running as zigzag chains along the a axis. The organic (piprazineH₂)²⁺ cations are lodged around the anionic framework. Water mol­ecules and isolated iodine ions play an important role in the structure connectivity.

Crystal structure of N-{4-[(6-chloro­pyridin-3-yl)meth­oxy]phen­yl}-2,6-di­fluoro­benzamide

The mol­ecular and crystal structure of N-{4-[(6-chloro­pyridin-3-yl)meth­oxy]phen­yl}-2,6-di­fluoro­benzamide is reported. The crystal packing is stabilized by N—H⋯N, C—H⋯O, C—H⋯F and C—H⋯π hydrogen bonds supplemented by offset π–π stacking inter­actions.

Crystal structure of K_0.75[Fe^II_3.75Fe^III_1.25(HPO₃)₆]·0.5H₂O, an open-framework iron phosphite with mixed-valent Fe^II/Fe^III ions

K_0.7[Fe^II_3.7Fe^III_1.3(HPO₃)₆]·5H₂O was synthesized under mild hydro­thermal conditions. The open-framework phosphite contains channels extending along [001] in which disordered potassium cations and water mol­ecules are located.

Crystal structure of di­chlorido­bis­(di­methyl N-cyano­dithio­imino­carbonate)cobalt(II)

The title cobalt(II) complex consists of a CoCl₂ moiety linked to the terminal N atoms of two dimethyl N-cyano­dithio­imino­carbonate mol­ecules which leads to an overall distorted tetra­hedral configuration around the Co^II atom. Weak C—H⋯Cl and C—H⋯S hydrogen-bonding inter­actions consolidate the packing of the structure.

Crystal structure of (RS)-(4-chloro­phen­yl)(pyridin-2-yl)methanol

A combination of O—H⋯N hydrogen bonds and C—Cl⋯π(pyrid­yl) inter­actions links the mol­ecules of the title compounds into (100) sheets.

Crystal structure of tris­(di­methyl­amido-κN)­bis­(di­methyl­amine-κN)­zirconium(IV) iodide

The crystal structure of tris­(di­methyl­amido)­bis­(di­methyl­amine) zirconium(IV) iodide is reported.

A 2:1 co-crystal of p-nitro­benzoic acid and N,N′-bis­(pyridin-3-ylmeth­yl)ethanedi­amide: crystal structure and Hirshfeld surface analysis

The components of the 2:1 co-crystal are linked by hy­droxy-O—H⋯N(pyrid­yl) hydrogen bonds into a three-mol­ecule aggregate having the shape of the letter Z. These are connected into a supra­molecular ladder by tight amide-N—H⋯O(nitro) hydrogen bonds.

Crystal structure of [bis­(2-amino­ethyl-κN)(2-{[4-(tri­fluoro­meth­yl)benzyl­idene]amino}­eth­yl)amine-κN]di­chlorido­copper(II)

The asymmetric unit of the title compound contains two crystallographically unique copper complexes. In each complex, the Cu atom is bound to two chloride ligands and to three N atoms of the 2-(4-tri­fluoro­methyl­benzyl­idene­amino)­ethyl­amine-bis­(2–2amino­eth­yl)amine ligand to give a distorted square-based pyramidal geometry in which the axial Cu—Cl bond is elongated, indicative of Jahn–Teller distortion. A Cu atom from a symmetry-related mol­ecule is in nearby proximity to the remaining axial Cu site, thus the overall geometry about each Cu atom could be described as being between distorted square-based pyramidal and very elongated Jahn–Teller-distorted octa­hedral.

Crystal structure of a mixed-ligand terbium(III) coordination polymer containing oxalate and formate ligands, having a three-dimensional fcu topology

The crystal structure of catena-[(μ₃-formato)(μ₄-oxalato)terbium(III)] features a three-dimensional 12-connected fcu topology with point symbol (3²⁴.4³⁶.5⁶), exhibiting thermal stability up to 623 K and strong green photoluminescence in the solid state at room temperature.

Crystal structure of 3-ferrocenyl-1-phenyl-1H-pyrrole, [Fe(η⁵-C₅H₄^cC₄H₃NPh)(η⁵-C₅H₅)]

The mol­ecular structure of 3-ferrocenyl-N-phenyl­pyrrole, [Fe(η⁵-C₅H₄^cC₄H₃NPh)(η⁵-C₅H₅)] has an L-type shape, with the N-phenyl­pyrrole moiety fused with the cycla­penta­dienyl ring being approximately coplanar.

Crystal structures of [Mn(bdc)(Hspar)₂(H₂O)_0.25]·2H₂O containing MnO₆₊₁ capped trigonal prisms and [Cu(Hspar)₂](bdc)·2H₂O containing CuO₄ squares (Hspar = sparfloxacin and bdc = benzene-1,4-di­carboxyl­ate)

The Mn²⁺ ion in [Mn(bdc)(Hspar)₂(H₂O)_0.25]·2H₂O (Hspar = sparfloxacin and bdc = benzene-1,4-di­carboxyl­ate) is coordinated by two O,O′-bidentate Hspar neutral mol­ecules (which exist as zwitterions) and an O,O′-bidentate bdc dianion to generate a distorted MnO₆ trigonal prism. In [Cu(Hspar)₂](bdc)·2H₂O,the Cu²⁺ ion lies on a crystallographic inversion centre and a CuO₄ square-planar geometry arises from its coordination by two O,O′-bidentate Hspar mol­ecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion.

Crystal structure of bis­(benzyl­amine-κN)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ⁴N]iron(II) n-hexane monosolvate

The crystal packing of the Fe^II porphyrin derivative results in channels parallel to [010] where the n-hexane solvent mol­ecules are located. UV–vis data of a CHCl₃ solution and the solid of the title compound are also reported.

Crystal structure of 7,8,9,10-tetra­hydro­benzo[b]naphtho­[2,1-d]furan

The reaction of 1-naphthol with cyclo­hexa­diene in the presence of catalytic amounts of Lewis acid, which inter­acts with 1-naphthol with release of protons, does not afford the Diels–Alder adduct but the Friedel–Crafts products followed by aromatization. The crystal structure of the final tetra­hydro­benzo­naphtho­furan product is described.