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The following articles are a selection of those recently accepted for publication in IUCrData.
See also Forthcoming articles in all IUCr journals.
data reports (HO)(3Z)-4-Methyl-9-(4-methylbenzenesulfonyl)-N-phenyl-3H,9H-thiopyrano[3,4-b]indol-3-imine
The crystal structure of an unprecedented indolothiopyrane imine is presented. The molecule, C25H20N2O2S2, consists of three planar ring systems and adopts the shape of a staircase with two steps.
data reports (HO)2-Amino-6-nitro-1,3-benzothiazol-3-ium 3-carboxy-4-hydroxybenzene-1-sulfonate
In the title salt, the cation is protonated at the thiazole N atom and in the anion, the sulfonate group is deprotonated and an intramolecular O—H⋯O hydrogen bond occurs. In the crystal, cation-to-anion N—H⋯O and anion-to-anion O—H⋯O hydrogen bonds link the component ions into (101) sheets.
data reports (HO)N-(4-Methoxy-2-methyl-5-nitrophenyl)acetamide
In the title compound, C10H12N2O4, the four substituents lie out of the phenyl plane by varying degrees. In the extended structure, the acetamide NH group donates a hydrogen bond to an acetamide carbonyl O atom, thereby forming chains propagating in the [010] direction.
data reports (HM)2-Amino-4-ferrocenyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile monohydrate
The crystal packing is consolidated by O—H⋯N, O—H⋯O, N—H⋯O, and N—H⋯π hydrogen bonds, with the solvent water molecule acting as both donor and acceptor. This results in a two-dimensional hydrogen-bonded network extending parallel to the bc plane.
data reports (HO)1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.64:0.36)
In the title disordered co-crystal, C—H⋯Br hydrogen bonds link the molecules into centrosymmetric dimers, enclosing R22(16) ring motifs.
data reports (HM)Dichlorido{(E)-N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamide}cadmium(II)
The structure of the cadmium-bound model ligand, 3,3-dimethyl-1-[(E)-[phenyl(pyridine-2-yl)methylidene]amino]thiourea (Bp44mT), which is used across medicinal chemistry and in metal-based nanoparticles research has been determined and analyzed·This complex is used to gain insight to the specificity and selectivity of the ligand and to model how 3,3-dimethyl-1-[(E)-[phenyl(pyridine-2-yl)methylidene]amino]thiourea might be used in chelation to counter metal poisoning and for environmental remediation.
data reports (HM)Poly[[tetraaqua(μ3-4-hydroxypyridine-2,6-dicarboxylato)di-μ2-oxalato-dipraseodymium(III)] 4.29-hydrate]
The title compound [PrIII2(HCAM)(ox)2(H2O)4]·4.29H2O features a two-dimensional coordination polymeric framework of PrIII with partially deprotonated chelidamic acid (HCAM2−) and oxalate (ox2−) linkers. The two-dimensional sheets further assemble through hydrogen bonding and π–π interactions into three-dimensional supramolecular architecture.
data reports (HO)data reports (HM)(S,S)-Diiodido{3,3′-methylenebis[1-(1-hydroxy-4-methylpentan-2-yl)imidazol-2-ylene]}palladium(II) ethanol monosolvate
The title methylene-bridged bis-N-heterocyclic carbene (NHC) palladium complex exhibits a distorted square-planar geometry around the palladium center, with the six-membered chelate ring adopting a boat conformation.
