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Journal logoIUCrDATA
ISSN: 2414-3146

January 2019 issue

Highlighted illustration

Cover illustration: A new complex of the type fac-[MnX(CO)3(N^N)]+, in which the phenanthroline ligand (N^N) contains an NAD-mimic moiety (N-methyl­ated nicotinamide) was synthesized by reacting bromido­penta­carbonyl­manganese(I) with 3-carbamoyl-1-(1,10-phen­an­throlin-2-ylmeth­yl)pyridinium chloride. As a consequence, the compound exhibits substitutional disorder of Cl and Br at the two halogen sites in the asymmetric unit. Group 7 metal complexes of general formula [MX(CO)3(N^N)] (M = MnI, ReI; X = Br, Cl; N^N = 2,2'-bi­pyridine or 1,10-phenanthroline derivatives) have been studied extensively for their catalytic CO2 reduction abilities over recent decades. As the single-electron reduction of CO2 is highly unfavourable, the reduction of CO2 via proton-assisted multi-electron transfer is one of the best strategies and the introduction of phenolic functional groups into the bipyridyl supporting ligands, which can act as proton donors, has shown enhanced catalytic performance. Thus the authors focused on simulating the biological function of the coenzyme nicotinamide adenine dinucleotide (NAD), which can transfer a hydride ion reversibly. See: Wadayama, Takase & Oyama [IUCrData (2019). 4, x181792].

inorganic compounds


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Localization of the hydrogen atoms in the crystal structure of BaH6As4O14 helped to established an unambiguous hydrogen-bonding scheme.

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The structure of the title compound comprises of two potassium cations, one [B4O5(OH)4]2– anion and a water mol­ecule of crystallization.

metal-organic compounds


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The title compound, [PdCl2(C24H22N2P2)]·CH2Cl2, is a palladium complex bearing a PNP and two chlorido ligands in a distorted square-planar coordination geometry.

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In the cationic MnI title complex, a 1,10-phenanthroline ligand bearing a nicotinamide pendant group, and carbonyl and halogido ligands define the coordination sphere, resulting in a slightly distorted C3N2X (X = Br or Cl) octa­hedron, with the CO ligands in a fac configuration.

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The asymmetric unit of the title complex contains one complete ligand mol­ecule, one perchlorate and one aceto­nitrile solvent mol­ecule. The iron(II) atom, situated on an inversion centre, is surrounded by six nitro­gen atoms from two ligands in an octa­hedral coordination sphere in which the two benzimidazole units adopt a trans-configuration. The crystal structure is stablized by extensive weak C—H⋯O and C—H⋯N inter­actions.

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The crystal structure of the title complex reveals that the two axial imidazoles have an unusual relative orientation that is halfway between parallel and perpendicular.

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The organic–inorganic hybrid salt, [Rb(C8H12BO6)(H2O)]n, is made up from a bis­(2-methyl­lactato)borate anion, a rubidium cation and a water mol­ecule of crystallization.

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In the title salt, the CoII cation is solely surrounded by 1,10-phenanthroline ligands and is not hydrogen-bonded to the 2,4,5-tri­carb­oxy­benzoate anion.

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The structure of the title coordination polymer is refined using data collected at 100 K, affording a much more accurate structure in comparison with that previously published.

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The structure of di­chloro­(2,2′-methyl­enebispyridine)­zinc(II), synthesized from the reaction of zinc metal with di-2-pyridyl­ketone in the presence of titanium(IV) chloride, is reported.

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The crystal structure of a classic platinum(II) di­imine di­thiol­ate construct, (2,2′-bi­pyridine)(maleo­nitrile-2,3-di­thiol­ato)platinum(II), is reported.

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The complex mol­ecule has a distorted CoN2O4 octa­hedral coordination geometry with the CoII ion located on an inversion centre.

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The central PtII ion lies in a square-planar environment defined by the mid-points of the two π-coordinated double bonds of cyclo­octa-1,5-diene and two SCN anions.

organic compounds


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The crystal structure of the title compound features carb­oxy­lic acid inversion dimers linked by pairwise O—H⋯O hydrogen bonds.

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The mol­ecular structure of a hexa­hydro­quinoline derivative is reported. The crystal structure is stabilized by N—H⋯O, C—H⋯O and C—H⋯Cl hydrogen bonds.

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The mol­ecular and crystal structure of a calixarene derivative is reported. The crystal structure is stabilized by C—H⋯O, C—H⋯Cl and C—H⋯π(ring) hydrogen bonds.

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In the title compound, the dihedral angles between the central phenol ring and pendant toluyl and imidazole rings are 3.20 (16) and 81.44 (14)°, respectively. An intra­molecular O—H⋯N hydrogen bond occurs in the title compound.

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In the title compound, the imidazo[4,5-b]pyridine ring system is inclined at angles of 19.37 (12) and 89.27 (13)° to the phenyl and triazole rings, respectively, while the phenyl and triazole rings subtend a dihedral angle of 71.23 (15)°. In the crystal, the mol­ecules are linked by C—H⋯NI and bifurcated C—H⋯(NT,NT) (I = imidazo[4,5-b]pyridine and T = triazole) hydrogen bonds into a double-column structure propagating along the b-axis direction.

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In the title compound, the 4H-pyran ring adopts a boat conformation. In the crystal, N—H⋯N and N—H⋯O inter­actions link the mol­ecules, forming an infinite ribbon running along the a-axis direction.

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The structure of a new heterocyclic compound, containing a thia­zole and a pyrrolidine ring and an indeno­quinoxaline ring system, is reported here. The crystal structure features C—H⋯N, C—H⋯O and C—H⋯S inter­molecular inter­actions, which forming ring and chain motifs.

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In the title compound, C27H17ClO, the dihedral angle between the central heterocyclic ring of the xanthene fused-ring system and the pendant chloro­phenyl group is 87.60 (8)°.

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In the crystal of the title N-substituted thia­zolidine-2,4-dione derivative, mol­ecules are linked by C—H⋯O hydrogen bonds and offset π–π inter­actions, leading to the formation of a three-dimensional structure.

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In the extended structure, mol­ecules related by 21 screw axes are stacked in the [001] direction to form columns linked by weak C—H⋯O inter­actions.

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In the crystal, adjacent mol­ecules related by inversion symmetry form columns parallel to the [010] direction through π–π stacking; these are cross-linked by N—H⋯N inter­actions in the [001] direction.
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